A0A3Q0KRG0_SCHMA Loading...

Myocyte-specific enhancer factor 2a, putative

AlphaFold DB , UniProt , Accession A0A3Q0KRG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.3	Low	89.2	Confident	229 Å²	229	132.4 Å²	132.4	100%	1.128	63%	0.631	S	S	*	*				0	125	0	-164.3	172.4	-175.7	0	0	108.4
2	G	87.7	Confident	89.7	Confident	70 Å²	70	134.8 Å²	134.8	72%	0.722	64%	0.637	S	S	*	*			trans	-87.3	177.1	-169.6	0	0	0	0	0	115.6
3	R	90.1	Very high	90	Very high	261 Å²	261	131.2 Å²	131.2	99%	0.985	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-69.4	128.3	169.2	-63.3	-180	-176.3	172.2	2.3	109.3
4	K	92.6	Very high	90.3	Very high	168 Å²	168	128.4 Å²	128.4	73%	0.73	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-93.6	149.9	171.6	-66.4	-171.1	176.1	-172.4	0	110.9
5	K	92.7	Very high	90.6	Very high	209 Å²	209	131.7 Å²	131.7	91%	0.909	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-63.9	141.7	165.1	-174.3	179.7	178.5	-175.6	0	108.5
6	I	92.1	Very high	90.9	Very high	98 Å²	98	128.9 Å²	128.9	50%	0.503	61%	0.611	S	S	.	*			trans	-128.4	145.1	174.8	57.3	176	0	0	0	109.3
7	E	92.7	Very high	91.1	Very high	135 Å²	135	125.5 Å²	125.5	63%	0.631	59%	0.591	S	S	*	*			trans	-67.9	152.1	171.9	-69.6	163.6	-131.3	0	0	110.9	K9	E7-K9 HydrophobicContact CB-CD 4.19Å; E7-K9 HydrophobicContact CB-CG 4.24Å; E7-K9 PolarHBondContact O-N 2.87Å; E7-K9 IonicContact OE1-NZ 2.79Å; E7-K9 WeakPolarHBondContact OE2-CD 3.4Å; E7-K9 WeakPolarHBondContact OE2-CE 3.49Å; E7-K9 IonicContact OE2-NZ 3.82Å; E7-K9 PolarHBondContact OE2-NZ 3.11Å
8	I	90.5	Very high	91.2	Very high	60 Å²	60	123.8 Å²	123.8	31%	0.308	59%	0.586	S	S	.	*	S	Bend	trans	-90.9	83.9	175.9	-54.2	-57.5	0	0	0	108.5	Q313 P314 F316	I8-Q313 PolarHBondContact O-NE2 3.4Å; I8-P314 HydrophobicContact CG2-CB 4.01Å; I8-P314 HydrophobicContact CG2-CG 3.96Å; I8-F316 HydrophobicContact CB-CE1 4.45Å; I8-F316 HydrophobicContact CB-CE2 4.12Å; I8-F316 HydrophobicContact CB-CZ 3.67Å; I8-F316 HydrophobicContact CG1-CE1 3.98Å; I8-F316 HydrophobicContact CG1-CZ 3.68Å; I8-F316 HydrophobicContact CG2-CD2 4.32Å; I8-F316 HydrophobicContact CG2-CE1 4.3Å; I8-F316 HydrophobicContact CG2-CE2 3.52Å; I8-F316 HydrophobicContact CG2-CZ 3.52Å
9	K	92.4	Very high	91.5	Very high	103 Å²	103	121.1 Å²	121.1	45%	0.448	58%	0.578	S	S	.	*	S	Bend	trans	-147	171.8	175.9	66.9	-171.7	-179.6	-167.4	0	110.2	E7 I11 D312 P314	E7-K9 HydrophobicContact CB-CD 4.19Å; E7-K9 HydrophobicContact CB-CG 4.24Å; E7-K9 PolarHBondContact O-N 2.87Å; E7-K9 IonicContact OE1-NZ 2.79Å; E7-K9 WeakPolarHBondContact OE2-CD 3.4Å; E7-K9 WeakPolarHBondContact OE2-CE 3.49Å; E7-K9 IonicContact OE2-NZ 3.82Å; E7-K9 PolarHBondContact OE2-NZ 3.11Å; K9-I11 PolarHBondContact O-N 3.09Å; K9-D312 WeakPolarHBondContact CA-OD1 3.46Å; K9-P314 WeakPolarHBondContact O-CG 3.48Å
10	F	91.3	Very high	91.6	Very high	77 Å²	77	116.8 Å²	116.8	34%	0.338	56%	0.56	S	S	.	*			trans	-61	120.6	179.9	-176	-95.8	0	0	0	110.9	K12 D312	F10-K12 PolarHBondContact O-N 3.47Å; F10-D312 WeakPolarHBondContact CB-OD1 3.43Å; F10-D312 WeakPolarHBondContact CD2-O 3.49Å; F10-D312 PolarHBondContact N-OD1 3.18Å
11	I	93.6	Very high	91.8	Very high	46 Å²	46	114 Å²	114	24%	0.236	55%	0.545	C	S	.	.			trans	-73.8	113	177.7	-59.1	173	0	0	0	107.8	K9 N16 R17 T20	K9-I11 PolarHBondContact O-N 3.09Å; I11-N16 HydrophobicContact CG2-CB 3.94Å; I11-R17 HydrophobicContact CB-CB 4.08Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.37Å; I11-R17 PolarHBondContact O-NH1 3.42Å; I11-T20 HydrophobicContact CD1-CG2 3.68Å
12	K	94.9	Very high	93.1	Very high	162 Å²	162	105.7 Å²	105.7	70%	0.704	51%	0.513	S	S	*	.			trans	-62.4	-52	-177.4	-66.6	-173	176.9	-174.5	0	111.9	F10 E14 R17	F10-K12 PolarHBondContact O-N 3.47Å; K12-E14 PolarHBondContact O-N 2.95Å; K12-R17 PolarHBondContact O-NH1 2.89Å
13	D	94.3	Very high	93.5	Very high	88 Å²	88	109.3 Å²	109.3	47%	0.471	51%	0.509	S	S	.	.	S	Bend	trans	-72.2	119.6	-174.4	-6.7	-56.7	0	0	0	112.1	K15 N16 R17	D13-K15 PolarHBondContact O-N 2.99Å; D13-N16 HydrophobicContact CB-CB 4.29Å; D13-N16 PolarHBondContact O-N 2.89Å; D13-N16 PolarHBondContact OD2-ND2 3.32Å; D13-R17 WeakPolarHBondContact O-CB 3.24Å; D13-R17 PolarHBondContact O-N 3.14Å
14	E	94.2	Very high	93.8	Very high	92 Å²	92	101.4 Å²	101.4	43%	0.43	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-41.5	-175.7	175.9	63.5	174.8	0	0	113	K12 N16 R17 L18	K12-E14 PolarHBondContact O-N 2.95Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 2.98Å; E14-R17 PolarHBondContact O-N 2.94Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 2.82Å; E14-R17 PolarHBondContact OE2-NE 3.09Å; E14-R17 IonicContact OE2-NH2 2.7Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; E14-L18 HydrophobicContact CG-CD1 3.94Å; E14-L18 HydrophobicContact CG-CG 4.21Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 WeakPolarHBondContact O-CG 3.15Å; E14-L18 PolarHBondContact O-N 3.3Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.44Å; E14-L18 WeakPolarHBondContact OE1-CD2 3.48Å; E14-L18 WeakPolarHBondContact OE1-CG 3.22Å
15	K	95.2	Very high	93.9	Very high	177 Å²	177	95.6 Å²	95.6	77%	0.77	45%	0.454	S	S	*	.	H	α-helix	trans	-58.9	-45	178	-65.4	-178.6	-179.6	178.1	0	111.5	D13 V19	D13-K15 PolarHBondContact O-N 2.99Å; K15-V19 WeakPolarHBondContact O-CG2 3.38Å; K15-V19 PolarHBondContact O-N 2.64Å
16	N	94.6	Very high	94	Very high	88 Å²	88	89 Å²	89	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-71.8	-35.8	177.9	-71.2	-27.3	0	0	0	111.7	I11 D13 E14 T20	I11-N16 HydrophobicContact CG2-CB 3.94Å; D13-N16 HydrophobicContact CB-CB 4.29Å; D13-N16 PolarHBondContact O-N 2.89Å; D13-N16 PolarHBondContact OD2-ND2 3.32Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 2.98Å; N16-T20 WeakPolarHBondContact O-CB 3.41Å; N16-T20 PolarHBondContact O-N 2.66Å; N16-T20 PolarHBondContact O-OG1 2.77Å
17	R	94.2	Very high	94.1	Very high	70 Å²	70	86 Å²	86	26%	0.264	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-49.1	175.2	-177.6	165.4	58.6	-131.5	9.3	111.8	I11 K12 D13 E14 T20 F21	I11-R17 HydrophobicContact CB-CB 4.08Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.37Å; I11-R17 PolarHBondContact O-NH1 3.42Å; K12-R17 PolarHBondContact O-NH1 2.89Å; D13-R17 WeakPolarHBondContact O-CB 3.24Å; D13-R17 PolarHBondContact O-N 3.14Å; E14-R17 PolarHBondContact O-N 2.94Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 2.82Å; E14-R17 PolarHBondContact OE2-NE 3.09Å; E14-R17 IonicContact OE2-NH2 2.7Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; R17-T20 PolarHBondContact O-N 3.1Å; R17-F21 VanDerWaalsContact O-CB 3.27Å; R17-F21 WeakPolarHBondContact O-CB 3.49Å; R17-F21 PolarHBondContact O-N 3.47Å
18	L	93.9	Very high	94.3	Very high	95 Å²	95	80.9 Å²	80.9	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-48.3	177.6	-70.5	174.3	0	0	0	112.4	E14 T20 F21 A22	E14-L18 HydrophobicContact CG-CD1 3.94Å; E14-L18 HydrophobicContact CG-CG 4.21Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 WeakPolarHBondContact O-CG 3.15Å; E14-L18 PolarHBondContact O-N 3.3Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.44Å; E14-L18 WeakPolarHBondContact OE1-CD2 3.48Å; E14-L18 WeakPolarHBondContact OE1-CG 3.22Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 2.72Å; L18-F21 PolarHBondContact O-N 3.19Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.33Å
19	V	95.1	Very high	94.4	Very high	72 Å²	72	79.6 Å²	79.6	44%	0.436	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-37.4	178.3	171.9	0	0	0	0	111.4	K15 K23	K15-V19 WeakPolarHBondContact O-CG2 3.38Å; K15-V19 PolarHBondContact O-N 2.64Å; V19-K23 HydrophobicContact CG1-CD 4.03Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 2.94Å
20	T	95	Very high	94.6	Very high	35 Å²	35	81 Å²	81	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-71.8	-40.3	176.1	-58	0	0	0	0	111.7	I11 N16 R17 L18 K23 R24	I11-T20 HydrophobicContact CD1-CG2 3.68Å; N16-T20 WeakPolarHBondContact O-CB 3.41Å; N16-T20 PolarHBondContact O-N 2.66Å; N16-T20 PolarHBondContact O-OG1 2.77Å; R17-T20 PolarHBondContact O-N 3.1Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 2.72Å; T20-K23 PolarHBondContact O-N 3.15Å; T20-R24 HydrophobicContact CG2-CG 3.97Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.46Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 3.28Å
21	F	94.6	Very high	94.7	Very high	59 Å²	59	82.4 Å²	82.4	26%	0.259	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-50.2	175	175.5	-102.1	0	0	0	111	R17 L18 K23 R24 K25 V47 T49 Y55	R17-F21 VanDerWaalsContact O-CB 3.27Å; R17-F21 WeakPolarHBondContact O-CB 3.49Å; R17-F21 PolarHBondContact O-N 3.47Å; L18-F21 PolarHBondContact O-N 3.19Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 2.89Å; F21-R24 PolarHBondContact O-N 2.95Å; F21-K25 HydrophobicContact CE1-CD 4.01Å; F21-K25 HydrophobicContact CZ-CD 3.9Å; F21-K25 WeakPolarHBondContact O-CB 2.8Å; F21-K25 PolarHBondContact O-N 2.75Å; F21-V47 HydrophobicContact CE2-CG1 3.79Å; F21-V47 HydrophobicContact CZ-CG1 4.07Å; F21-T49 HydrophobicContact CE1-CG2 3.73Å; F21-T49 HydrophobicContact CE2-CG2 3.95Å; F21-T49 HydrophobicContact CZ-CG2 3.41Å; F21-T49 VanDerWaalsContact CZ-CG2 3.41Å; F21-Y55 HydrophobicContact CE1-CD2 4.07Å; F21-Y55 AromaticContact CE1-CE2 3.72Å; F21-Y55 HydrophobicContact CE1-CE2 3.72Å; F21-Y55 AromaticContact CZ-CD2 3.78Å; F21-Y55 HydrophobicContact CZ-CD2 3.78Å; F21-Y55 AromaticContact CZ-CE2 3.86Å; F21-Y55 HydrophobicContact CZ-CE2 3.86Å
22	A	93.3	Very high	94.7	Very high	55 Å²	55	80.5 Å²	80.5	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-56	-46.6	178.1	0	0	0	0	0	112.2	L18 S26	L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.33Å; A22-S26 PolarHBondContact O-N 2.7Å; A22-S26 PolarHBondContact O-OG 3.08Å
23	K	95.2	Very high	94.6	Very high	146 Å²	146	79.4 Å²	79.4	64%	0.635	39%	0.392	S	S	*	.	H	α-helix	trans	-72.2	-37.8	-179.8	-70.2	172.1	-179.6	172.4	0	113.6	V19 T20 F21 S26 G27	V19-K23 HydrophobicContact CG1-CD 4.03Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 2.94Å; T20-K23 PolarHBondContact O-N 3.15Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 2.89Å; K23-S26 PolarHBondContact O-OG 3.46Å; K23-G27 PolarHBondContact O-N 3.4Å; K23-G27 VanDerWaalsContact O-N 3.15Å
24	R	96.1	Very high	94.6	Very high	94 Å²	94	78 Å²	78	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-71.9	-38.2	175.6	-73.9	-171	-175.5	-159.3	5.6	111.4	T20 F21 G27 L28	T20-R24 HydrophobicContact CG2-CG 3.97Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.46Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 3.28Å; F21-R24 PolarHBondContact O-N 2.95Å; R24-G27 PolarHBondContact O-N 3.16Å; R24-L28 VanDerWaalsContact O-CB 3.27Å; R24-L28 WeakPolarHBondContact O-CB 3.42Å; R24-L28 PolarHBondContact O-N 3.15Å
25	K	95.1	Very high	94.6	Very high	47 Å²	47	77 Å²	77	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-47.6	177.3	-170.9	-175.3	75.4	68.9	0	111.8	F21 L28 F29 Y55	F21-K25 HydrophobicContact CE1-CD 4.01Å; F21-K25 HydrophobicContact CZ-CD 3.9Å; F21-K25 WeakPolarHBondContact O-CB 2.8Å; F21-K25 PolarHBondContact O-N 2.75Å; K25-L28 PolarHBondContact O-N 3.42Å; K25-F29 HydrophobicContact CD-CZ 4.37Å; K25-F29 HydrophobicContact CG-CD1 4.29Å; K25-F29 HydrophobicContact CG-CE1 3.97Å; K25-F29 HydrophobicContact CG-CE2 4.44Å; K25-F29 HydrophobicContact CG-CZ 4.06Å; K25-F29 WeakPolarHBondContact O-CB 3.48Å; K25-F29 WeakPolarHBondContact O-CD1 3.44Å; K25-F29 WeakPolarHBondContact O-CG 3.25Å; K25-F29 PolarHBondContact O-N 3.32Å; K25-Y55 HydrophobicContact CD-CD1 3.85Å; K25-Y55 HydrophobicContact CD-CD2 4.25Å; K25-Y55 HydrophobicContact CD-CG 3.68Å
26	S	94.7	Very high	94.5	Very high	71 Å²	71	69.1 Å²	69.1	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-38.7	176.3	58.1	0	0	0	0	112.3	A22 K23 F29 K30	A22-S26 PolarHBondContact O-N 2.7Å; A22-S26 PolarHBondContact O-OG 3.08Å; K23-S26 PolarHBondContact O-OG 3.46Å; S26-F29 PolarHBondContact O-N 2.82Å; S26-K30 WeakPolarHBondContact O-CB 3.27Å; S26-K30 PolarHBondContact O-N 3.24Å
27	G	95.2	Very high	94.3	Very high	35 Å²	35	69 Å²	69	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-46.6	172	0	0	0	0	0	113.1	K23 R24 K30 K31	K23-G27 PolarHBondContact O-N 3.4Å; K23-G27 VanDerWaalsContact O-N 3.15Å; R24-G27 PolarHBondContact O-N 3.16Å; G27-K30 PolarHBondContact O-N 3.06Å; G27-K31 WeakPolarHBondContact O-CG 3.24Å; G27-K31 PolarHBondContact O-N 3.04Å
28	L	95.6	Very high	94.4	Very high	27 Å²	27	72.4 Å²	72.4	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-46.6	176.9	174.3	63.9	0	0	0	111.7	R24 K25 K31 A32 L45 V47 L315 I317	R24-L28 VanDerWaalsContact O-CB 3.27Å; R24-L28 WeakPolarHBondContact O-CB 3.42Å; R24-L28 PolarHBondContact O-N 3.15Å; K25-L28 PolarHBondContact O-N 3.42Å; L28-K31 PolarHBondContact O-N 3.21Å; L28-K31 VanDerWaalsContact O-N 3.16Å; L28-A32 PolarHBondContact O-N 3.43Å; L28-L45 HydrophobicContact CD1-CD1 4.25Å; L28-L45 HydrophobicContact CD2-CD1 4.26Å; L28-L45 HydrophobicContact CD2-CD2 4.37Å; L28-L45 HydrophobicContact CG-CD1 3.83Å; L28-V47 HydrophobicContact CD2-CG2 4.4Å; L28-L315 HydrophobicContact CD2-CD2 4.25Å; L28-I317 HydrophobicContact CD1-CD1 3.6Å; L28-I317 HydrophobicContact CD1-CG1 4.17Å
29	F	93.8	Very high	94.5	Very high	33 Å²	33	70.8 Å²	70.8	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-41.5	179.1	-76	17.6	0	0	0	111.2	K25 S26 K31 A32 Y33 L45 V47 Q56	K25-F29 HydrophobicContact CD-CZ 4.37Å; K25-F29 HydrophobicContact CG-CD1 4.29Å; K25-F29 HydrophobicContact CG-CE1 3.97Å; K25-F29 HydrophobicContact CG-CE2 4.44Å; K25-F29 HydrophobicContact CG-CZ 4.06Å; K25-F29 WeakPolarHBondContact O-CB 3.48Å; K25-F29 WeakPolarHBondContact O-CD1 3.44Å; K25-F29 WeakPolarHBondContact O-CG 3.25Å; K25-F29 PolarHBondContact O-N 3.32Å; S26-F29 PolarHBondContact O-N 2.82Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.95Å; F29-A32 PolarHBondContact O-N 2.91Å; F29-Y33 PolarHBondContact O-N 3.02Å; F29-L45 HydrophobicContact CD1-CD1 3.87Å; F29-L45 HydrophobicContact CE1-CB 4.41Å; F29-L45 HydrophobicContact CE1-CD1 4.19Å; F29-V47 HydrophobicContact CE1-CG2 4.2Å; F29-Q56 WeakPolarHBondContact CE2-O 3.39Å
30	K	96	Very high	94.3	Very high	132 Å²	132	74.9 Å²	74.9	57%	0.574	38%	0.382	S	S	*	.	H	α-helix	trans	-60	-40.8	172.4	174.4	161.4	174	157.5	0	111.7	S26 G27 Y33 E34	S26-K30 WeakPolarHBondContact O-CB 3.27Å; S26-K30 PolarHBondContact O-N 3.24Å; G27-K30 PolarHBondContact O-N 3.06Å; K30-Y33 PolarHBondContact O-N 3.49Å; K30-E34 WeakPolarHBondContact CE-OE1 3.32Å; K30-E34 HydrophobicContact CG-CG 4.3Å; K30-E34 IonicContact NZ-OE1 3Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.25Å; K30-E34 WeakPolarHBondContact O-CG 3.19Å; K30-E34 PolarHBondContact O-N 3.45Å
31	K	94.4	Very high	94	Very high	106 Å²	106	73.9 Å²	73.9	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-37.3	176.6	-70.3	-147.3	151.7	-63.3	0	113.7	G27 L28 F29 E34 L35	G27-K31 WeakPolarHBondContact O-CG 3.24Å; G27-K31 PolarHBondContact O-N 3.04Å; L28-K31 PolarHBondContact O-N 3.21Å; L28-K31 VanDerWaalsContact O-N 3.16Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.95Å; K31-E34 IonicContact NZ-OE2 3.74Å; K31-E34 PolarHBondContact NZ-OE2 3.3Å; K31-L35 WeakPolarHBondContact O-CB 3.03Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.12Å; K31-L35 PolarHBondContact O-N 3.3Å
32	A	92.1	Very high	93.7	Very high	6 Å²	6	72 Å²	72	5%	0.05	37%	0.369	C	S	.	.	H	α-helix	trans	-65.9	-41	173.7	0	0	0	0	0	111.6	L28 F29 L35 S36 I43 L45 Y57	L28-A32 PolarHBondContact O-N 3.43Å; F29-A32 PolarHBondContact O-N 2.91Å; A32-L35 PolarHBondContact O-N 3.16Å; A32-S36 WeakPolarHBondContact O-CB 3.39Å; A32-S36 PolarHBondContact O-N 2.77Å; A32-S36 PolarHBondContact O-OG 3.3Å; A32-I43 HydrophobicContact CB-CG2 4.09Å; A32-L45 HydrophobicContact CB-CD1 3.51Å; A32-L45 HydrophobicContact CB-CG 4.31Å; A32-Y57 HydrophobicContact CB-CD1 3.76Å; A32-Y57 HydrophobicContact CB-CE1 3.53Å
33	Y	93.9	Very high	93.4	Very high	140 Å²	140	70.1 Å²	70.1	55%	0.549	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-52.1	171.5	175.3	-100	0	0	0	112.1	F29 K30 L35 S36 V37 Y57	F29-Y33 PolarHBondContact O-N 3.02Å; K30-Y33 PolarHBondContact O-N 3.49Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 2.86Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 2.95Å; Y33-S36 VanDerWaalsContact O-N 3.15Å; Y33-S36 PolarHBondContact O-OG 3.19Å; Y33-V37 HydrophobicContact CD2-CG2 4.28Å; Y33-V37 HydrophobicContact CE1-CG2 4.39Å; Y33-V37 HydrophobicContact CE2-CG2 3.88Å; Y33-V37 WeakPolarHBondContact O-CG2 3.34Å; Y33-V37 PolarHBondContact O-N 3.32Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.28Å
34	E	94.6	Very high	93.2	Very high	59 Å²	59	64.2 Å²	64.2	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-50.3	-49	174.6	-74.9	167.9	173.2	0	0	111.4	K30 K31 L38	K30-E34 WeakPolarHBondContact CE-OE1 3.32Å; K30-E34 HydrophobicContact CG-CG 4.3Å; K30-E34 IonicContact NZ-OE1 3Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.25Å; K30-E34 WeakPolarHBondContact O-CG 3.19Å; K30-E34 PolarHBondContact O-N 3.45Å; K31-E34 IonicContact NZ-OE2 3.74Å; K31-E34 PolarHBondContact NZ-OE2 3.3Å; E34-L38 HydrophobicContact CB-CD1 4.48Å; E34-L38 VanDerWaalsContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 WeakPolarHBondContact O-CD1 3.43Å; E34-L38 WeakPolarHBondContact O-CG 3.4Å; E34-L38 PolarHBondContact O-N 3.29Å
35	L	93.6	Very high	92.9	Very high	69 Å²	69	60 Å²	60	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-67.9	-38.8	179.4	-71.6	168.9	0	0	0	113.5	K31 A32 Y33 V37 C39 I43	K31-L35 WeakPolarHBondContact O-CB 3.03Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.12Å; K31-L35 PolarHBondContact O-N 3.3Å; A32-L35 PolarHBondContact O-N 3.16Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 2.86Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.39Å; L35-C39 WeakPolarHBondContact O-CB 3.34Å; L35-C39 PolarHBondContact O-N 2.97Å; L35-I43 HydrophobicContact CB-CD1 3.75Å
36	S	92.2	Very high	92.7	Very high	12 Å²	12	59.8 Å²	59.8	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-38.2	179	67	0	0	0	0	112.3	A32 Y33 E40 C41 Y57	A32-S36 WeakPolarHBondContact O-CB 3.39Å; A32-S36 PolarHBondContact O-N 2.77Å; A32-S36 PolarHBondContact O-OG 3.3Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 2.95Å; Y33-S36 VanDerWaalsContact O-N 3.15Å; Y33-S36 PolarHBondContact O-OG 3.19Å; S36-E40 WeakPolarHBondContact O-CA 3.27Å; S36-E40 PolarHBondContact O-N 3.29Å; S36-C41 WeakPolarHBondContact CA-O 3.21Å; S36-C41 VanDerWaalsContact CB-O 3.24Å; S36-C41 WeakPolarHBondContact CB-O 3.36Å; S36-C41 PolarHBondContact O-N 3.13Å; S36-Y57 PolarHBondContact OG-OH 3.4Å
37	V	92.3	Very high	92.6	Very high	87 Å²	87	57.7 Å²	57.7	53%	0.527	30%	0.299	S	S	.	.	H	α-helix	trans	-79.4	-45.2	179	177.6	0	0	0	0	111.4	Y33 L35 C39	Y33-V37 HydrophobicContact CD2-CG2 4.28Å; Y33-V37 HydrophobicContact CE1-CG2 4.39Å; Y33-V37 HydrophobicContact CE2-CG2 3.88Å; Y33-V37 WeakPolarHBondContact O-CG2 3.34Å; Y33-V37 PolarHBondContact O-N 3.32Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.39Å; V37-C39 VanDerWaalsContact C-N 3.28Å; V37-C39 PolarHBondContact O-N 3.15Å
38	L	96	Very high	92.5	Very high	140 Å²	140	60.6 Å²	60.6	73%	0.733	30%	0.302	S	S	*	.	H	α-helix	trans	-71	-19.9	-175.5	-71.9	170.2	0	0	0	114.4	E34	E34-L38 HydrophobicContact CB-CD1 4.48Å; E34-L38 VanDerWaalsContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 WeakPolarHBondContact O-CD1 3.43Å; E34-L38 WeakPolarHBondContact O-CG 3.4Å; E34-L38 PolarHBondContact O-N 3.29Å
39	C	94.5	Very high	92.2	Very high	61 Å²	61	60.5 Å²	60.5	41%	0.412	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	9.3	-176.2	-60.9	0	0	0	0	113.2	L35 V37 C41	L35-C39 WeakPolarHBondContact O-CB 3.34Å; L35-C39 PolarHBondContact O-N 2.97Å; V37-C39 VanDerWaalsContact C-N 3.28Å; V37-C39 PolarHBondContact O-N 3.15Å; C39-C41 VanDerWaalsContact C-N 3.27Å; C39-C41 HydrophobicContact CB-CB 4.24Å; C39-C41 VanDerWaalsContact CB-SG 3.54Å; C39-C41 PolarHBondContact O-N 3.48Å; C39-C41 PolarHBondContact O-SG 3.48Å
40	E	92.7	Very high	91.9	Very high	158 Å²	158	69.9 Å²	69.9	74%	0.738	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	47.9	-175.9	-61.9	-178	174.5	0	0	112.4	S36	S36-E40 WeakPolarHBondContact O-CA 3.27Å; S36-E40 PolarHBondContact O-N 3.29Å
41	C	88.2	Confident	91.5	Very high	15 Å²	15	67.5 Å²	67.5	10%	0.101	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-112.2	128.9	-165.8	-82.9	0	0	0	0	113	S36 C39 I43 S59 V179	S36-C41 WeakPolarHBondContact CA-O 3.21Å; S36-C41 VanDerWaalsContact CB-O 3.24Å; S36-C41 WeakPolarHBondContact CB-O 3.36Å; S36-C41 PolarHBondContact O-N 3.13Å; C39-C41 VanDerWaalsContact C-N 3.27Å; C39-C41 HydrophobicContact CB-CB 4.24Å; C39-C41 VanDerWaalsContact CB-SG 3.54Å; C39-C41 PolarHBondContact O-N 3.48Å; C39-C41 PolarHBondContact O-SG 3.48Å; C41-I43 HydrophobicContact CB-CD1 4.46Å; C41-I43 HydrophobicContact CB-CG1 4.31Å; C41-I43 PolarHBondContact O-N 2.92Å; C41-S59 PolarHBondContact O-OG 3.28Å; C41-V179 HydrophobicContact CB-CG1 3.84Å; C41-V179 WeakPolarHBondContact SG-CG1 3.16Å
42	E	87.8	Confident	91.2	Very high	19 Å²	19	69.3 Å²	69.3	9%	0.089	35%	0.352	C	S	.	.			trans	-68.3	123	165	-80.3	166.8	-127	0	0	109.9	S59 V60 H64 R68 Q182	E42-S59 WeakPolarHBondContact CA-OG 3.43Å; E42-V60 HydrophobicContact CG-CG2 4.1Å; E42-H64 IonicContact OE1-CE1 2.87Å; E42-H64 IonicContact OE2-CE1 3.91Å; E42-H64 PolarHBondContact OE2-CE1 3.31Å; E42-H64 IonicContact OE2-ND1 3.89Å; E42-H64 PolarHBondContact OE2-ND1 3.01Å; E42-R68 IonicContact OE1-CZ 2.64Å; E42-R68 IonicContact OE1-NH1 2.72Å; E42-R68 PolarHBondContact OE1-NH1 3.13Å; E42-R68 WeakPolarHBondContact OE2-CD 3.36Å; E42-R68 IonicContact OE2-CZ 2.66Å; E42-R68 IonicContact OE2-NE 3.16Å; E42-R68 IonicContact OE2-NH1 2.77Å; E42-R68 PolarHBondContact OE2-NH1 2.88Å; E42-Q182 PolarHBondContact OE1-NE2 2.96Å
43	I	88.2	Confident	91	Very high	15 Å²	15	76.7 Å²	76.7	8%	0.077	38%	0.378	C	S	.	.			trans	-135.2	134.9	179.4	-60.1	-178.6	0	0	0	108.7	A32 L35 C41 Y57 A58 S59 V179	A32-I43 HydrophobicContact CB-CG2 4.09Å; L35-I43 HydrophobicContact CB-CD1 3.75Å; C41-I43 HydrophobicContact CB-CD1 4.46Å; C41-I43 HydrophobicContact CB-CG1 4.31Å; C41-I43 PolarHBondContact O-N 2.92Å; I43-Y57 HydrophobicContact CG2-CE1 4.47Å; I43-A58 CarbonylContact O-C 3.56Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.44Å; I43-S59 PolarHBondContact N-OG 3.14Å; I43-S59 PolarHBondContact O-N 2.8Å; I43-V179 HydrophobicContact CG1-CG2 4.23Å
44	A	89.3	Confident	90.9	Very high	23 Å²	23	73.8 Å²	73.8	19%	0.19	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.3	167.5	0	0	0	0	0	110.5	A58 A65	A44-A58 HydrophobicContact CB-CB 4.5Å; A44-A65 HydrophobicContact CB-CB 3.67Å
45	L	90.3	Very high	90.7	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.021	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.8	177.8	-84.6	178.2	0	0	0	109.3	L28 F29 A32 Q56 Y57 F177	L28-L45 HydrophobicContact CD1-CD1 4.25Å; L28-L45 HydrophobicContact CD2-CD1 4.26Å; L28-L45 HydrophobicContact CD2-CD2 4.37Å; L28-L45 HydrophobicContact CG-CD1 3.83Å; F29-L45 HydrophobicContact CD1-CD1 3.87Å; F29-L45 HydrophobicContact CE1-CB 4.41Å; F29-L45 HydrophobicContact CE1-CD1 4.19Å; A32-L45 HydrophobicContact CB-CD1 3.51Å; A32-L45 HydrophobicContact CB-CG 4.31Å; L45-Q56 CarbonylContact O-C 3.41Å; L45-Q56 VanDerWaalsContact O-CA 3.31Å; L45-Q56 WeakPolarHBondContact O-CA 3.16Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 HydrophobicContact CD1-CD1 4.12Å; L45-Y57 HydrophobicContact CG-CD1 4.42Å; L45-Y57 PolarHBondContact N-O 3.38Å; L45-Y57 PolarHBondContact O-N 2.93Å; L45-F177 HydrophobicContact CD2-CE1 3.45Å; L45-F177 VanDerWaalsContact CD2-CE1 3.45Å; L45-F177 HydrophobicContact CD2-CZ 3.53Å; L45-F177 HydrophobicContact CG-CE1 4.4Å
46	L	91.1	Very high	90.6	Very high	44 Å²	44	76.6 Å²	76.6	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.1	171.8	-57.7	175.9	0	0	0	108.1	F48 L54 Q56 V62	L46-F48 HydrophobicContact CB-CE2 4.43Å; L46-L54 HydrophobicContact CB-CD1 4.29Å; L46-L54 HydrophobicContact CD2-CD1 4.21Å; L46-Q56 HydrophobicContact CD2-CB 3.8Å; L46-V62 HydrophobicContact CD2-CG1 4.07Å
47	V	92.4	Very high	90.5	Very high	26 Å²	26	77.9 Å²	77.9	16%	0.158	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109.6	-177	-179.4	0	0	0	0	109	F21 L28 F29 Y55	F21-V47 HydrophobicContact CE2-CG1 3.79Å; F21-V47 HydrophobicContact CZ-CG1 4.07Å; L28-V47 HydrophobicContact CD2-CG2 4.4Å; F29-V47 HydrophobicContact CE1-CG2 4.2Å; V47-Y55 PolarHBondContact N-O 3.2Å; V47-Y55 PolarHBondContact O-N 2.96Å
48	F	92.9	Very high	90.3	Very high	96 Å²	96	75 Å²	75	42%	0.421	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144.4	173.6	-63.9	-87.8	0	0	0	110.8	L46 L54	L46-F48 HydrophobicContact CB-CE2 4.43Å; F48-L54 HydrophobicContact CD1-CB 4.22Å; F48-L54 HydrophobicContact CD1-CD1 4.25Å; F48-L54 HydrophobicContact CE1-CB 4.01Å; F48-L54 HydrophobicContact CE1-CD1 3.88Å; F48-L54 HydrophobicContact CE1-CG 4.36Å; F48-L54 HydrophobicContact CE2-CD1 4.18Å; F48-L54 HydrophobicContact CZ-CD1 3.84Å
49	T	89.5	Confident	90	Very high	26 Å²	26	70.5 Å²	70.5	16%	0.16	35%	0.349	C	S	.	.			trans	-98.2	165.5	170.2	60.4	0	0	0	0	111.9	F21 S51 N52 R53 Y55	F21-T49 HydrophobicContact CE1-CG2 3.73Å; F21-T49 HydrophobicContact CE2-CG2 3.95Å; F21-T49 HydrophobicContact CZ-CG2 3.41Å; F21-T49 VanDerWaalsContact CZ-CG2 3.41Å; T49-S51 PolarHBondContact O-N 3.43Å; T49-S51 PolarHBondContact OG1-N 3.39Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; T49-N52 WeakPolarHBondContact O-CA 3.48Å; T49-N52 PolarHBondContact O-N 3.07Å; T49-R53 PolarHBondContact N-O 3.18Å; T49-R53 VanDerWaalsContact N-O 3.11Å; T49-R53 WeakPolarHBondContact OG1-CB 3.48Å; T49-R53 PolarHBondContact OG1-N 2.9Å; T49-R53 VanDerWaalsContact OG1-N 3.12Å; T49-R53 PolarHBondContact OG1-O 3.17Å; T49-Y55 HydrophobicContact CG2-CD2 4.18Å; T49-Y55 HydrophobicContact CG2-CE2 3.7Å
50	R	87.3	Confident	89.6	Confident	230 Å²	230	71.8 Å²	71.8	87%	0.868	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-12.8	167.7	-175.4	170.4	177.1	135	2.6	113.8
51	S	87.9	Confident	89.4	Confident	81 Å²	81	67.7 Å²	67.7	57%	0.566	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	18.3	171.7	50.4	0	0	0	0	113.1	T49 R53	T49-S51 PolarHBondContact O-N 3.43Å; T49-S51 PolarHBondContact OG1-N 3.39Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; S51-R53 PolarHBondContact O-N 3.3Å
52	N	87.7	Confident	89.3	Confident	145 Å²	145	68.2 Å²	68.2	78%	0.775	34%	0.343	S	S	*	.			trans	53.2	22.2	-179.4	-61.3	-6.2	0	0	0	114.9	T49	T49-N52 WeakPolarHBondContact O-CA 3.48Å; T49-N52 PolarHBondContact O-N 3.07Å
53	R	89.4	Confident	89.2	Confident	161 Å²	161	74.9 Å²	74.9	61%	0.608	38%	0.375	S	S	*	.			trans	-82.7	121.1	174.7	-60.8	-174.6	177.9	-167.4	-3.3	109.3	T49 S51 Y55	T49-R53 PolarHBondContact N-O 3.18Å; T49-R53 VanDerWaalsContact N-O 3.11Å; T49-R53 WeakPolarHBondContact OG1-CB 3.48Å; T49-R53 PolarHBondContact OG1-N 2.9Å; T49-R53 VanDerWaalsContact OG1-N 3.12Å; T49-R53 PolarHBondContact OG1-O 3.17Å; S51-R53 PolarHBondContact O-N 3.3Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å
54	L	90.7	Very high	89.1	Confident	79 Å²	79	77.7 Å²	77.7	41%	0.414	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.7	171.1	174.3	59.8	0	0	0	110.4	L46 F48	L46-L54 HydrophobicContact CB-CD1 4.29Å; L46-L54 HydrophobicContact CD2-CD1 4.21Å; F48-L54 HydrophobicContact CD1-CB 4.22Å; F48-L54 HydrophobicContact CD1-CD1 4.25Å; F48-L54 HydrophobicContact CE1-CB 4.01Å; F48-L54 HydrophobicContact CE1-CD1 3.88Å; F48-L54 HydrophobicContact CE1-CG 4.36Å; F48-L54 HydrophobicContact CE2-CD1 4.18Å; F48-L54 HydrophobicContact CZ-CD1 3.84Å
55	Y	90.8	Very high	88.7	Confident	76 Å²	76	77.7 Å²	77.7	30%	0.298	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.6	162.6	-60.7	-91.4	0	0	0	108.5	F21 K25 V47 T49 R53	F21-Y55 HydrophobicContact CE1-CD2 4.07Å; F21-Y55 AromaticContact CE1-CE2 3.72Å; F21-Y55 HydrophobicContact CE1-CE2 3.72Å; F21-Y55 AromaticContact CZ-CD2 3.78Å; F21-Y55 HydrophobicContact CZ-CD2 3.78Å; F21-Y55 AromaticContact CZ-CE2 3.86Å; F21-Y55 HydrophobicContact CZ-CE2 3.86Å; K25-Y55 HydrophobicContact CD-CD1 3.85Å; K25-Y55 HydrophobicContact CD-CD2 4.25Å; K25-Y55 HydrophobicContact CD-CG 3.68Å; V47-Y55 PolarHBondContact N-O 3.2Å; V47-Y55 PolarHBondContact O-N 2.96Å; T49-Y55 HydrophobicContact CG2-CD2 4.18Å; T49-Y55 HydrophobicContact CG2-CE2 3.7Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å
56	Q	90.9	Very high	88.3	Confident	110 Å²	110	81 Å²	81	51%	0.514	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.2	-178	68	-170.5	39.1	0	0	112.5	F29 L45 L46 V62	F29-Q56 WeakPolarHBondContact CE2-O 3.39Å; L45-Q56 CarbonylContact O-C 3.41Å; L45-Q56 VanDerWaalsContact O-CA 3.31Å; L45-Q56 WeakPolarHBondContact O-CA 3.16Å; L46-Q56 HydrophobicContact CD2-CB 3.8Å; Q56-V62 HydrophobicContact CB-CG2 4.36Å; Q56-V62 HydrophobicContact CG-CG2 4.44Å
57	Y	90.5	Very high	87.9	Confident	40 Å²	40	85.4 Å²	85.4	16%	0.157	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.9	165.2	162.3	-90.9	0	0	0	108.2	A32 Y33 S36 I43 L45	A32-Y57 HydrophobicContact CB-CD1 3.76Å; A32-Y57 HydrophobicContact CB-CE1 3.53Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.28Å; S36-Y57 PolarHBondContact OG-OH 3.4Å; I43-Y57 HydrophobicContact CG2-CE1 4.47Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 HydrophobicContact CD1-CD1 4.12Å; L45-Y57 HydrophobicContact CG-CD1 4.42Å; L45-Y57 PolarHBondContact N-O 3.38Å; L45-Y57 PolarHBondContact O-N 2.93Å
58	A	89.3	Confident	87.4	Confident	26 Å²	26	86.8 Å²	86.8	22%	0.215	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.3	169	0	0	0	0	0	109.3	I43 A44 V62	I43-A58 CarbonylContact O-C 3.56Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.44Å; A44-A58 HydrophobicContact CB-CB 4.5Å; A58-V62 HydrophobicContact CB-CG2 3.97Å
59	S	89.4	Confident	86.6	Confident	45 Å²	45	83 Å²	83	32%	0.315	41%	0.411	S	S	.	.	S	Bend	trans	-81.3	-20.3	173.3	56.3	0	0	0	0	113.7	C41 E42 I43	C41-S59 PolarHBondContact O-OG 3.28Å; E42-S59 WeakPolarHBondContact CA-OG 3.43Å; I43-S59 PolarHBondContact N-OG 3.14Å; I43-S59 PolarHBondContact O-N 2.8Å
60	V	86.1	Confident	86.3	Confident	89 Å²	89	89.8 Å²	89.8	54%	0.539	44%	0.438	S	S	.	.	S	Bend	trans	-121.8	-97.6	172.5	-173.8	0	0	0	0	108.9	E42	E42-V60 HydrophobicContact CG-CG2 4.1Å
61	T	87.5	Confident	86.2	Confident	72 Å²	72	86.8 Å²	86.8	44%	0.442	43%	0.431	S	S	.	.			trans	-133.3	152.2	167.8	72.2	0	0	0	0	110.3	E63 H64 A65	T61-E63 PolarHBondContact O-N 3.2Å; T61-H64 PolarHBondContact O-N 3.03Å; T61-H64 VanDerWaalsContact OG1-CB 3.27Å; T61-H64 WeakPolarHBondContact OG1-CB 3.04Å; T61-H64 PolarHBondContact OG1-N 3.46Å; T61-A65 PolarHBondContact O-N 3.16Å; T61-A65 VanDerWaalsContact O-N 3.13Å
62	V	85.8	Confident	85.5	Confident	26 Å²	26	85.4 Å²	85.4	16%	0.158	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-37.9	175.6	177.9	0	0	0	0	110.3	L46 Q56 A58 A65 L66	L46-V62 HydrophobicContact CD2-CG1 4.07Å; Q56-V62 HydrophobicContact CB-CG2 4.36Å; Q56-V62 HydrophobicContact CG-CG2 4.44Å; A58-V62 HydrophobicContact CB-CG2 3.97Å; V62-A65 PolarHBondContact O-N 2.79Å; V62-L66 HydrophobicContact CG1-CD1 3.87Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.3Å
63	E	87	Confident	84.5	Confident	159 Å²	159	84 Å²	84	74%	0.743	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-44.6	178.2	-63.9	179	-179.2	0	0	112.4	T61 L66 Q67	T61-E63 PolarHBondContact O-N 3.2Å; E63-L66 PolarHBondContact O-N 3.41Å; E63-Q67 WeakPolarHBondContact O-CB 3.22Å; E63-Q67 PolarHBondContact O-N 3.43Å
64	H	85.8	Confident	82.8	Confident	73 Å²	73	87.9 Å²	87.9	34%	0.338	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-46.7	175.6	-177.1	-100.8	0	0	0	111.3	E42 T61 L66 Q67 R68	E42-H64 IonicContact OE1-CE1 2.87Å; E42-H64 IonicContact OE2-CE1 3.91Å; E42-H64 PolarHBondContact OE2-CE1 3.31Å; E42-H64 IonicContact OE2-ND1 3.89Å; E42-H64 PolarHBondContact OE2-ND1 3.01Å; T61-H64 PolarHBondContact O-N 3.03Å; T61-H64 VanDerWaalsContact OG1-CB 3.27Å; T61-H64 WeakPolarHBondContact OG1-CB 3.04Å; T61-H64 PolarHBondContact OG1-N 3.46Å; H64-L66 PolarHBondContact O-N 3.42Å; H64-Q67 PolarHBondContact O-N 3.29Å; H64-R68 WeakPolarHBondContact O-CB 3.28Å; H64-R68 PolarHBondContact O-N 3.08Å
65	A	80.1	Confident	81	Confident	24 Å²	24	87.3 Å²	87.3	20%	0.198	43%	0.425	C	S	.	.	H	α-helix	trans	-59.4	-46.8	176.3	0	0	0	0	0	111.5	A44 T61 V62 Q67 R68 L69	A44-A65 HydrophobicContact CB-CB 3.67Å; T61-A65 PolarHBondContact O-N 3.16Å; T61-A65 VanDerWaalsContact O-N 3.13Å; V62-A65 PolarHBondContact O-N 2.79Å; A65-Q67 VanDerWaalsContact C-N 3.33Å; A65-Q67 PolarHBondContact O-N 3.46Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-L69 WeakPolarHBondContact O-CB 3.27Å; A65-L69 PolarHBondContact O-N 3.2Å
66	L	82.3	Confident	79.5	Confident	74 Å²	74	84.3 Å²	84.3	39%	0.387	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-31.7	176.5	-70.5	174.6	0	0	0	113.2	V62 E63 H64 L69 K70	V62-L66 HydrophobicContact CG1-CD1 3.87Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 VanDerWaalsContact O-CG 3.25Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.3Å; E63-L66 PolarHBondContact O-N 3.41Å; H64-L66 PolarHBondContact O-N 3.42Å; L66-L69 HydrophobicContact CD2-CD2 4.04Å; L66-K70 VanDerWaalsContact O-CG 3.28Å; L66-K70 WeakPolarHBondContact O-CG 3.29Å; L66-K70 PolarHBondContact O-N 3Å; L66-K70 VanDerWaalsContact O-N 3.08Å
67	Q	82.9	Confident	78.3	Confident	135 Å²	135	84.9 Å²	84.9	63%	0.631	42%	0.417	S	S	*	.	H	α-helix	trans	-71.1	-46.9	175.4	-172.7	-179.1	12.8	0	0	111.3	E63 H64 A65 L69 K70 K71	E63-Q67 WeakPolarHBondContact O-CB 3.22Å; E63-Q67 PolarHBondContact O-N 3.43Å; H64-Q67 PolarHBondContact O-N 3.29Å; A65-Q67 VanDerWaalsContact C-N 3.33Å; A65-Q67 PolarHBondContact O-N 3.46Å; Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 2.82Å; Q67-K70 PolarHBondContact O-N 3.43Å; Q67-K71 WeakPolarHBondContact O-CB 3.25Å; Q67-K71 PolarHBondContact O-N 2.93Å
68	R	82.4	Confident	77.4	Confident	56 Å²	56	85.7 Å²	85.7	21%	0.211	42%	0.421	C	S	.	.	H	α-helix	trans	-56.1	-45.2	172.8	-169	-177.2	-164.1	121.3	1.4	110.8	E42 H64 A65 K70 K71 H72 E180	E42-R68 IonicContact OE1-CZ 2.64Å; E42-R68 IonicContact OE1-NH1 2.72Å; E42-R68 PolarHBondContact OE1-NH1 3.13Å; E42-R68 WeakPolarHBondContact OE2-CD 3.36Å; E42-R68 IonicContact OE2-CZ 2.66Å; E42-R68 IonicContact OE2-NE 3.16Å; E42-R68 IonicContact OE2-NH1 2.77Å; E42-R68 PolarHBondContact OE2-NH1 2.88Å; H64-R68 WeakPolarHBondContact O-CB 3.28Å; H64-R68 PolarHBondContact O-N 3.08Å; A65-R68 PolarHBondContact O-N 2.91Å; R68-K70 PolarHBondContact O-N 3.45Å; R68-K71 PolarHBondContact O-N 3.4Å; R68-H72 WeakPolarHBondContact O-CB 3.41Å; R68-H72 PolarHBondContact O-CD2 3.03Å; R68-H72 PolarHBondContact O-N 3.49Å; R68-E180 IonicContact CZ-OE2 3.3Å; R68-E180 IonicContact NE-OE2 3.19Å; R68-E180 PolarHBondContact NE-OE2 2.82Å; R68-E180 IonicContact NH2-OE2 3.04Å; R68-E180 PolarHBondContact NH2-OE2 2.97Å
69	L	76.2	Confident	76.9	Confident	17 Å²	17	88.2 Å²	88.2	9%	0.089	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-37.3	179.8	-170	62.4	0	0	0	114.2	A65 L66 Q67 R176 V178	A65-L69 WeakPolarHBondContact O-CB 3.27Å; A65-L69 PolarHBondContact O-N 3.2Å; L66-L69 HydrophobicContact CD2-CD2 4.04Å; Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 2.82Å; L69-R176 HydrophobicContact CD1-CG 4.06Å; L69-R176 VanDerWaalsContact CD1-NE 3.33Å; L69-R176 HydrophobicContact CD2-CB 4.36Å; L69-R176 HydrophobicContact CD2-CG 3.92Å; L69-R176 HydrophobicContact CG-CG 4.46Å; L69-V178 HydrophobicContact CD1-CB 4.27Å; L69-V178 HydrophobicContact CD1-CG2 3.28Å
70	K	83	Confident	76.7	Confident	168 Å²	168	86.9 Å²	86.9	73%	0.73	42%	0.421	S	S	*	.	H	α-helix	trans	-67.8	-45.6	171.7	-75.1	168.8	-179	179.2	0	111.3	L66 Q67 R68	L66-K70 VanDerWaalsContact O-CG 3.28Å; L66-K70 WeakPolarHBondContact O-CG 3.29Å; L66-K70 PolarHBondContact O-N 3Å; L66-K70 VanDerWaalsContact O-N 3.08Å; Q67-K70 PolarHBondContact O-N 3.43Å; R68-K70 PolarHBondContact O-N 3.45Å
71	K	83.8	Confident	76.8	Confident	167 Å²	167	86.3 Å²	86.3	73%	0.726	42%	0.416	S	S	*	.	H	α-helix	trans	-66.5	-41.3	-179.5	177.6	-169.7	170.9	-140.2	0	112.5	Q67 R68 H73	Q67-K71 WeakPolarHBondContact O-CB 3.25Å; Q67-K71 PolarHBondContact O-N 2.93Å; R68-K71 PolarHBondContact O-N 3.4Å; K71-H73 PolarHBondContact O-N 2.82Å
72	H	74.6	Confident	76.7	Confident	51 Å²	51	85 Å²	85	24%	0.236	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	39.9	-175.3	-68.4	-116.8	0	0	0	112.2	R68 R74 A75 N76 E180	R68-H72 WeakPolarHBondContact O-CB 3.41Å; R68-H72 PolarHBondContact O-CD2 3.03Å; R68-H72 PolarHBondContact O-N 3.49Å; H72-R74 PolarHBondContact O-N 2.93Å; H72-A75 HydrophobicContact CB-CB 4.4Å; H72-A75 PolarHBondContact O-N 3.38Å; H72-N76 PolarHBondContact O-ND2 3.41Å; H72-N76 PolarHBondContact O-OD1 3.27Å; H72-E180 IonicContact ND1-OE1 3.87Å
73	H	65.9	Low	76.8	Confident	115 Å²	115	84.4 Å²	84.4	53%	0.532	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.3	-175.9	-159.8	-64.9	0	0	0	114.3	K71 N76	K71-H73 PolarHBondContact O-N 2.82Å; H73-N76 VanDerWaalsContact C-ND2 3.27Å; H73-N76 VanDerWaalsContact CA-ND2 3.34Å; H73-N76 WeakPolarHBondContact CA-ND2 3.35Å; H73-N76 PolarHBondContact O-ND2 3.13Å
74	R	52.9	Low	76.6	Confident	244 Å²	244	77.5 Å²	77.5	92%	0.921	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.3	-177.5	-69.2	-178.9	171.7	164.6	-2.9	115.6	H72	H72-R74 PolarHBondContact O-N 2.93Å
75	A	53.6	Low	76.5	Confident	67 Å²	67	77.9 Å²	77.9	55%	0.554	38%	0.375	S	S	*	.	S	Bend	trans	-106.4	18.7	-174.1	0	0	0	0	0	113.8	H72	H72-A75 HydrophobicContact CB-CB 4.4Å; H72-A75 PolarHBondContact O-N 3.38Å
76	N	58.5	Low	76.7	Confident	12 Å²	12	83.5 Å²	83.5	6%	0.064	39%	0.391	C	S	.	.			trans	-104.7	117.1	-164.2	-60.8	-45.2	0	0	0	112.3	H72 H73 F78 R176 V178	H72-N76 PolarHBondContact O-ND2 3.41Å; H72-N76 PolarHBondContact O-OD1 3.27Å; H73-N76 VanDerWaalsContact C-ND2 3.27Å; H73-N76 VanDerWaalsContact CA-ND2 3.34Å; H73-N76 WeakPolarHBondContact CA-ND2 3.35Å; H73-N76 PolarHBondContact O-ND2 3.13Å; N76-F78 HydrophobicContact CB-CD2 3.73Å; N76-F78 HydrophobicContact CB-CE2 3.35Å; N76-F78 HydrophobicContact CB-CG 4.49Å; N76-F78 HydrophobicContact CB-CZ 3.83Å; N76-F78 VanDerWaalsContact O-CD2 3.32Å; N76-F78 WeakPolarHBondContact O-CD2 3.48Å; N76-F78 PolarHBondContact O-N 3.45Å; N76-R176 PolarHBondContact ND2-NH2 3Å; N76-V178 WeakPolarHBondContact OD1-CG2 3.39Å
77	E	65.7	Low	76.7	Confident	123 Å²	123	82.2 Å²	82.2	58%	0.575	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-79.4	104.6	159.4	-68.4	-164	150	0	0	109.5
78	F	72	Confident	76.6	Confident	56 Å²	56	77.8 Å²	77.8	25%	0.246	37%	0.367	C	S	.	.			trans	-91.2	106	176.5	-62	-102.6	0	0	0	110.6	N76 R176 V439 I440 I441	N76-F78 HydrophobicContact CB-CD2 3.73Å; N76-F78 HydrophobicContact CB-CE2 3.35Å; N76-F78 HydrophobicContact CB-CG 4.49Å; N76-F78 HydrophobicContact CB-CZ 3.83Å; N76-F78 VanDerWaalsContact O-CD2 3.32Å; N76-F78 WeakPolarHBondContact O-CD2 3.48Å; N76-F78 PolarHBondContact O-N 3.45Å; F78-R176 HydrophobicContact CD1-CG 4.33Å; F78-R176 HydrophobicContact CE1-CG 4.16Å; F78-V439 HydrophobicContact CB-CG1 3.6Å; F78-V439 VanDerWaalsContact O-CG1 3.25Å; F78-V439 WeakPolarHBondContact O-CG1 3.16Å; F78-I440 WeakPolarHBondContact CD2-O 3.36Å; F78-I441 WeakPolarHBondContact O-CG1 3.4Å
79	L	79.5	Confident	76.5	Confident	80 Å²	80	80 Å²	80	42%	0.419	38%	0.382	S	S	.	.			trans	-95.8	128	174.9	-64.8	177.4	0	0	0	111.7	M84 L87 I441	L79-M84 HydrophobicContact CD1-SD 4.48Å; L79-L87 HydrophobicContact CD2-CD1 4.29Å; L79-I441 HydrophobicContact CD2-CD1 3.86Å; L79-I441 HydrophobicContact CD2-CG1 4.37Å
80	S	84.8	Confident	76.5	Confident	16 Å²	16	86 Å²	86	11%	0.112	40%	0.404	C	S	.	.			trans	-98.5	171.6	174.8	76.6	0	0	0	0	113.2	S82 D83 M84	S80-S82 VanDerWaalsContact C-N 3.32Å; S80-S82 PolarHBondContact O-N 3.12Å; S80-S82 PolarHBondContact OG-N 3.17Å; S80-S82 PolarHBondContact OG-OG 2.9Å; S80-S82 VanDerWaalsContact OG-OG 3.06Å; S80-D83 WeakPolarHBondContact CB-OD2 3.42Å; S80-D83 PolarHBondContact N-OD2 2.81Å; S80-D83 PolarHBondContact O-N 3.1Å; S80-D83 VanDerWaalsContact OG-CG 3.23Å; S80-D83 PolarHBondContact OG-N 3.39Å; S80-D83 PolarHBondContact OG-OD2 2.86Å; S80-M84 WeakPolarHBondContact O-CB 3.34Å; S80-M84 WeakPolarHBondContact O-CG 3.31Å; S80-M84 PolarHBondContact O-N 3.3Å
81	N	88	Confident	76	Confident	78 Å²	78	85.2 Å²	85.2	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-41	170.3	-70.1	-14	0	0	0	112.1	M84 E85	N81-M84 WeakPolarHBondContact O-CB 3.38Å; N81-M84 PolarHBondContact O-N 3.12Å; N81-E85 WeakPolarHBondContact O-CG 3.5Å; N81-E85 PolarHBondContact O-N 3.04Å
82	S	86.8	Confident	74.9	Confident	45 Å²	45	84 Å²	84	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-72.5	-29.9	179.8	63.2	0	0	0	0	112.2	S80 E85 R86	S80-S82 VanDerWaalsContact C-N 3.32Å; S80-S82 PolarHBondContact O-N 3.12Å; S80-S82 PolarHBondContact OG-N 3.17Å; S80-S82 PolarHBondContact OG-OG 2.9Å; S80-S82 VanDerWaalsContact OG-OG 3.06Å; S82-E85 PolarHBondContact O-N 3.47Å; S82-R86 WeakPolarHBondContact O-CB 3.48Å; S82-R86 WeakPolarHBondContact O-CD 3.17Å; S82-R86 WeakPolarHBondContact O-CG 3.39Å; S82-R86 PolarHBondContact O-N 3.44Å
83	D	86.9	Confident	74.3	Confident	13 Å²	13	91.3 Å²	91.3	7%	0.07	42%	0.421	C	S	.	.	H	α-helix	trans	-71.2	-35.6	170.8	-60.3	-53.3	0	0	0	112	S80 R86 L87 I441	S80-D83 WeakPolarHBondContact CB-OD2 3.42Å; S80-D83 PolarHBondContact N-OD2 2.81Å; S80-D83 PolarHBondContact O-N 3.1Å; S80-D83 VanDerWaalsContact OG-CG 3.23Å; S80-D83 PolarHBondContact OG-N 3.39Å; S80-D83 PolarHBondContact OG-OD2 2.86Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 PolarHBondContact O-N 2.9Å; D83-R86 IonicContact OD1-CZ 3.68Å; D83-R86 IonicContact OD1-NH1 3.98Å; D83-R86 PolarHBondContact OD1-NH1 3.27Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 WeakPolarHBondContact O-CG 3.2Å; D83-L87 PolarHBondContact O-N 2.93Å; D83-I441 HydrophobicContact CB-CD1 4.11Å
84	M	81.8	Confident	74	Confident	13 Å²	13	90.1 Å²	90.1	6%	0.064	43%	0.426	C	S	.	.	H	α-helix	trans	-64.4	-40.4	171.6	-70.8	-70.9	-66.7	0	0	111.7	L79 S80 N81 L87 T88 F316 L318	L79-M84 HydrophobicContact CD1-SD 4.48Å; S80-M84 WeakPolarHBondContact O-CB 3.34Å; S80-M84 WeakPolarHBondContact O-CG 3.31Å; S80-M84 PolarHBondContact O-N 3.3Å; N81-M84 WeakPolarHBondContact O-CB 3.38Å; N81-M84 PolarHBondContact O-N 3.12Å; M84-L87 PolarHBondContact O-N 3.26Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; M84-T88 WeakPolarHBondContact O-CG2 3.38Å; M84-T88 PolarHBondContact O-N 2.99Å; M84-T88 PolarHBondContact O-OG1 3.45Å; M84-F316 HydrophobicContact CE-CB 3.49Å; M84-F316 VanDerWaalsContact CE-CB 3.49Å; M84-L318 HydrophobicContact CE-CB 3.81Å; M84-L318 HydrophobicContact CE-CD1 3.92Å; M84-L318 HydrophobicContact CE-CG 3.61Å; M84-L318 HydrophobicContact SD-CB 3.96Å; M84-L318 HydrophobicContact SD-CD1 3.9Å; M84-L318 HydrophobicContact SD-CG 4.08Å
85	E	84.2	Confident	74.2	Confident	81 Å²	81	85.6 Å²	85.6	38%	0.379	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-41.9	170.6	-71.4	165.5	-160.7	0	0	112.1	N81 S82 L87 T88 N89	N81-E85 WeakPolarHBondContact O-CG 3.5Å; N81-E85 PolarHBondContact O-N 3.04Å; S82-E85 PolarHBondContact O-N 3.47Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 3.33Å; E85-T88 WeakPolarHBondContact CA-OG1 3.33Å; E85-T88 PolarHBondContact O-N 2.87Å; E85-T88 PolarHBondContact O-OG1 3.23Å; E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 VanDerWaalsContact O-CG 3.22Å; E85-N89 PolarHBondContact O-N 2.59Å; E85-N89 PolarHBondContact O-ND2 2.92Å; E85-N89 VanDerWaalsContact O-ND2 3.12Å
86	R	84.6	Confident	74	Confident	143 Å²	143	86.6 Å²	86.6	54%	0.54	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-31.1	172.5	-70.8	159.5	176.3	171.5	-2.2	112.2	S82 D83 R90	S82-R86 WeakPolarHBondContact O-CB 3.48Å; S82-R86 WeakPolarHBondContact O-CD 3.17Å; S82-R86 WeakPolarHBondContact O-CG 3.39Å; S82-R86 PolarHBondContact O-N 3.44Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 PolarHBondContact O-N 2.9Å; D83-R86 IonicContact OD1-CZ 3.68Å; D83-R86 IonicContact OD1-NH1 3.98Å; D83-R86 PolarHBondContact OD1-NH1 3.27Å; R86-R90 VanDerWaalsContact O-CB 3.28Å; R86-R90 WeakPolarHBondContact O-CB 3.49Å; R86-R90 VanDerWaalsContact O-CG 3.24Å; R86-R90 WeakPolarHBondContact O-CG 3.27Å; R86-R90 PolarHBondContact O-N 3Å; R86-R90 VanDerWaalsContact O-N 3.1Å; R86-R90 PolarHBondContact O-NE 3.24Å; R86-R90 VanDerWaalsContact O-NE 3.07Å
87	L	82.1	Confident	73.8	Confident	46 Å²	46	93.1 Å²	93.1	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-77.1	-42	177.5	-76.4	165.5	0	0	0	112	L79 D83 M84 E85 R91 L318	L79-L87 HydrophobicContact CD2-CD1 4.29Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 WeakPolarHBondContact O-CG 3.2Å; D83-L87 PolarHBondContact O-N 2.93Å; M84-L87 PolarHBondContact O-N 3.26Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 3.33Å; L87-R91 WeakPolarHBondContact O-CG 3.32Å; L87-R91 PolarHBondContact O-N 2.81Å; L87-L318 HydrophobicContact CB-CD1 3.94Å; L87-L318 HydrophobicContact CD1-CD1 4.14Å
88	T	81.1	Confident	73.2	Confident	43 Å²	43	95.1 Å²	95.1	26%	0.264	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-46	174.1	53.9	0	0	0	0	111.1	M84 E85 R90 R91 M92	M84-T88 WeakPolarHBondContact O-CG2 3.38Å; M84-T88 PolarHBondContact O-N 2.99Å; M84-T88 PolarHBondContact O-OG1 3.45Å; E85-T88 WeakPolarHBondContact CA-OG1 3.33Å; E85-T88 PolarHBondContact O-N 2.87Å; E85-T88 PolarHBondContact O-OG1 3.23Å; T88-R90 PolarHBondContact O-N 3.45Å; T88-R91 PolarHBondContact O-N 3.35Å; T88-M92 WeakPolarHBondContact O-CG 3.44Å; T88-M92 PolarHBondContact O-N 3.22Å; T88-M92 VanDerWaalsContact O-N 3.14Å
89	N	80.9	Confident	72.1	Confident	101 Å²	101	96 Å²	96	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-36	178.4	-71.8	-31.4	0	0	0	112.9	E85 M92 R93	E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 VanDerWaalsContact O-CG 3.22Å; E85-N89 PolarHBondContact O-N 2.59Å; E85-N89 PolarHBondContact O-ND2 2.92Å; E85-N89 VanDerWaalsContact O-ND2 3.12Å; N89-M92 PolarHBondContact O-N 3.15Å; N89-R93 PolarHBondContact O-N 3.18Å
90	R	76.5	Confident	70.6	Confident	144 Å²	144	98.1 Å²	98.1	54%	0.543	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-43.9	171.9	-83.6	-177.6	-71.9	-175	-0.8	112.2	R86 T88 M92 R93 S94	R86-R90 VanDerWaalsContact O-CB 3.28Å; R86-R90 WeakPolarHBondContact O-CB 3.49Å; R86-R90 VanDerWaalsContact O-CG 3.24Å; R86-R90 WeakPolarHBondContact O-CG 3.27Å; R86-R90 PolarHBondContact O-N 3Å; R86-R90 VanDerWaalsContact O-N 3.1Å; R86-R90 PolarHBondContact O-NE 3.24Å; R86-R90 VanDerWaalsContact O-NE 3.07Å; T88-R90 PolarHBondContact O-N 3.45Å; R90-M92 VanDerWaalsContact C-N 3.26Å; R90-M92 PolarHBondContact O-N 3.4Å; R90-R93 PolarHBondContact O-N 2.81Å; R90-S94 PolarHBondContact O-N 3.2Å; R90-S94 PolarHBondContact O-OG 3.06Å
91	R	71.4	Confident	68.3	Low	152 Å²	152	100.9 Å²	100.9	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-59.6	-35.7	176.4	-72.3	175.7	-178.6	-165.8	0.7	112.6	L87 T88 R93	L87-R91 WeakPolarHBondContact O-CG 3.32Å; L87-R91 PolarHBondContact O-N 2.81Å; T88-R91 PolarHBondContact O-N 3.35Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 2.94Å
92	M	61.8	Low	66.1	Low	142 Å²	142	104 Å²	104	70%	0.7	57%	0.57	S	S	*	*	H	α-helix	trans	-69.4	-25.7	174.8	-60.8	-58	173.7	0	0	113.7	T88 N89 R90	T88-M92 WeakPolarHBondContact O-CG 3.44Å; T88-M92 PolarHBondContact O-N 3.22Å; T88-M92 VanDerWaalsContact O-N 3.14Å; N89-M92 PolarHBondContact O-N 3.15Å; R90-M92 VanDerWaalsContact C-N 3.26Å; R90-M92 PolarHBondContact O-N 3.4Å
93	R	61.5	Low	64.1	Low	203 Å²	203	108.6 Å²	108.6	77%	0.766	59%	0.589	S	S	*	*	H	α-helix	trans	-89.1	-32.7	176.9	-69.8	-174.9	178	-170.7	-0.5	113.7	N89 R90 R91 N95	N89-R93 PolarHBondContact O-N 3.18Å; R90-R93 PolarHBondContact O-N 2.81Å; R91-R93 VanDerWaalsContact C-N 3.32Å; R91-R93 PolarHBondContact O-N 2.94Å; R93-N95 PolarHBondContact O-N 3.28Å
94	S	59.4	Low	61.7	Low	91 Å²	91	114.1 Å²	114.1	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-68	-20.2	179.5	-64.1	0	0	0	0	113.4	R90 C96	R90-S94 PolarHBondContact O-N 3.2Å; R90-S94 PolarHBondContact O-OG 3.06Å; S94-C96 PolarHBondContact O-N 3.41Å
95	N	57.3	Low	59.8	Low	148 Å²	148	118.1 Å²	118.1	79%	0.791	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	15.7	-179	-148.6	110.6	0	0	0	113.6	R93	R93-N95 PolarHBondContact O-N 3.28Å
96	C	49.4	Very low	57.7	Low	89 Å²	89	122.8 Å²	122.8	60%	0.601	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-12.7	-167.5	-58	0	0	0	0	115.8	S94	S94-C96 PolarHBondContact O-N 3.41Å
97	N	54.5	Low	55.4	Low	149 Å²	149	121.9 Å²	121.9	80%	0.797	69%	0.69	S	S	*	*	S	Bend	trans	-117.7	-2	-162.6	-78	12.5	0	0	0	116.3
98	D	53.4	Low	52.9	Low	165 Å²	165	124.9 Å²	124.9	88%	0.882	71%	0.713	S	S	*	*	S	Bend	trans	-96.7	123.1	173.7	-78.8	-47.1	0	0	0	111.3
99	G	48.8	Very low	50.8	Low	73 Å²	73	127.8 Å²	127.8	75%	0.753	74%	0.736	S	S	*	*	S	Bend	trans	92.4	70	156.2	0	0	0	0	0	118.7
100	S	48.4	Very low	48.8	Very low	125 Å²	125	130.1 Å²	130.1	87%	0.874	75%	0.748	S	S	*	*			trans	42.3	96.2	137.3	-177.7	0	0	0	0	120
101	G	35.8	Very low	46.9	Very low	74 Å²	74	131.9 Å²	131.9	76%	0.763	76%	0.764	S	S	*	*				92.5	63.6	122	0	0	0	0	0	120.1
102	V	42.7	Very low	45.4	Very low	145 Å²	145	134.7 Å²	134.7	88%	0.879	78%	0.775	S	S	*	*			trans	-131.8	148.8	149	-177.1	0	0	0	0	109.4
103	I	43.8	Very low	44.1	Very low	140 Å²	140	132.3 Å²	132.3	72%	0.718	77%	0.772	S	S	*	*			trans	-66.1	141.5	-174.4	-62.7	168.6	0	0	0	111.4	S105	I103-S105 PolarHBondContact O-N 2.89Å; I103-S105 VanDerWaalsContact O-N 3.13Å
104	P	36	Very low	43.2	Very low	130 Å²	130	130 Å²	130	84%	0.844	77%	0.77	S	S	*	*			trans	-75.2	98.6	175.9	30.4	-35.2	0	0	0	112.2
105	S	42.4	Very low	42.3	Very low	97 Å²	97	133.9 Å²	133.9	68%	0.678	78%	0.778	S	S	*	*			trans	-117	96.2	179	60.8	0	0	0	0	113.4	I103	I103-S105 PolarHBondContact O-N 2.89Å; I103-S105 VanDerWaalsContact O-N 3.13Å
106	Q	40.5	Very low	41.7	Very low	179 Å²	179	134.5 Å²	134.5	84%	0.836	78%	0.781	S	S	*	*			trans	54.9	148.8	156	-67.2	-177.2	-21.5	0	0	120.7	C108	Q106-C108 PolarHBondContact O-N 3.1Å
107	P	36.3	Very low	41.5	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	80%	0.797	S	S	*	*			trans	-68.3	118.1	167.9	29.5	-33.1	0	0	0	109.9	S109	P107-S109 PolarHBondContact O-N 3.25Å
108	C	29.5	Very low	41.1	Very low	109 Å²	109	140.4 Å²	140.4	74%	0.736	80%	0.801	S	S	*	*			trans	-69.6	99.8	-175.7	-65.7	0	0	0	0	112.4	Q106 N110	Q106-C108 PolarHBondContact O-N 3.1Å; C108-N110 PolarHBondContact O-N 3.01Å; C108-N110 VanDerWaalsContact O-N 3.17Å
109	S	37.7	Very low	40.8	Very low	105 Å²	105	140 Å²	140	73%	0.734	80%	0.798	S	S	*	*			trans	-70.5	94.1	153.4	52.1	0	0	0	0	108.5	P107 M111	P107-S109 PolarHBondContact O-N 3.25Å; S109-M111 PolarHBondContact O-N 3.21Å; S109-M111 VanDerWaalsContact O-N 3.12Å
110	N	38.6	Very low	40.6	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	80%	0.796	S	S	*	*			trans	-63.7	115.6	179.8	-84.6	13.7	0	0	0	110.9	C108	C108-N110 PolarHBondContact O-N 3.01Å; C108-N110 VanDerWaalsContact O-N 3.17Å
111	M	36.1	Very low	40.2	Very low	180 Å²	180	137.5 Å²	137.5	89%	0.887	79%	0.793	S	S	*	*			trans	-67.4	159.2	170.5	-63	178.3	174.7	0	0	111.2	S109	S109-M111 PolarHBondContact O-N 3.21Å; S109-M111 VanDerWaalsContact O-N 3.12Å
112	R	39.4	Very low	40.8	Very low	212 Å²	212	139.9 Å²	139.9	80%	0.8	79%	0.792	S	S	*	*			trans	-128.3	121.7	146.5	176.6	172.9	159.8	-173.1	-14	107	E114	R112-E114 IonicContact CZ-OE1 2.63Å; R112-E114 IonicContact NE-OE1 2.64Å; R112-E114 IonicContact NH2-OE1 3.05Å; R112-E114 PolarHBondContact NH2-OE1 3.05Å
113	S	35.4	Very low	41.1	Very low	91 Å²	91	139.7 Å²	139.7	64%	0.636	79%	0.786	S	S	*	*			trans	-80.2	143.6	178.4	40.8	0	0	0	0	111.3
114	E	42.5	Very low	41.5	Very low	155 Å²	155	140.6 Å²	140.6	72%	0.724	79%	0.788	S	S	*	*			trans	-133.4	116.5	148.2	-66.1	-170.7	176.9	0	0	105.9	R112	R112-E114 IonicContact CZ-OE1 2.63Å; R112-E114 IonicContact NE-OE1 2.64Å; R112-E114 IonicContact NH2-OE1 3.05Å; R112-E114 PolarHBondContact NH2-OE1 3.05Å
115	E	40.8	Very low	42.3	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	78%	0.781	S	S	*	*			trans	-86.1	130.5	-180	-67.5	162.8	172.3	0	0	108.6
116	N	44	Very low	42.9	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	79%	0.793	S	S	*	*			trans	-147.6	93.2	163.9	-87.3	-61.1	0	0	0	108.4	N118	N116-N118 PolarHBondContact O-N 2.93Å
117	E	45.1	Very low	43.6	Very low	197 Å²	197	144.3 Å²	144.3	92%	0.921	79%	0.793	S	S	*	*			trans	-70.6	118.3	161.1	-62.1	-179.9	149.6	0	0	107.9
118	N	46.6	Very low	44.6	Very low	166 Å²	166	145 Å²	145	89%	0.888	79%	0.79	S	S	*	*			trans	-150.6	156.7	153.7	-145.2	-5.3	0	0	0	111.5	N116	N116-N118 PolarHBondContact O-N 2.93Å
119	D	46.7	Very low	46	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	79%	0.791	S	S	*	*			trans	-101.8	160.5	-158.5	-174.3	28.2	0	0	0	113.8
120	G	44.1	Very low	46.9	Very low	69 Å²	69	148 Å²	148	71%	0.711	79%	0.79	S	S	*	*			trans	61.5	102.7	147.8	0	0	0	0	0	119.5
121	G	41	Very low	47.8	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	79%	0.787	S	S	*	*			trans	-171.3	116.3	161.9	0	0	0	0	0	111.1
122	V	48.8	Very low	48.8	Very low	125 Å²	125	146.4 Å²	146.4	76%	0.758	78%	0.78	S	S	*	*			trans	-113.1	-175.6	171.3	-173.2	0	0	0	0	106.9
123	D	49	Very low	49.2	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	77%	0.773	S	S	*	*			trans	77.8	136.9	174.4	-36.8	-18.9	0	0	0	112.7
124	E	51.6	Low	49.9	Very low	160 Å²	160	144.7 Å²	144.7	75%	0.748	78%	0.78	S	S	*	*			cis	-175.1	160.8	-35	-112.8	169.6	-177.8	0	0	102.5
125	D	51.6	Low	50.4	Low	134 Å²	134	143 Å²	143	72%	0.717	78%	0.779	S	S	*	*			trans	43.8	120.5	156.9	-51.9	-12.3	0	0	0	121.4
126	D	55.9	Low	50.6	Low	172 Å²	172	141.8 Å²	141.8	92%	0.92	78%	0.779	S	S	*	*				-161.4	147.1	114.6	-97.4	-28.1	0	0	0	108.7
127	E	54.3	Low	50.5	Low	177 Å²	177	143 Å²	143	83%	0.827	78%	0.779	S	S	*	*			trans	-101.6	-160	-167.7	-58.6	-169	106.8	0	0	113.4
128	D	58.7	Low	50.3	Low	139 Å²	139	138.4 Å²	138.4	74%	0.743	77%	0.769	S	S	*	*			trans	91.5	134	153.1	-58.7	-21	0	0	0	122.1
129	D	58.8	Low	50.2	Low	143 Å²	143	136.7 Å²	136.7	77%	0.765	77%	0.767	S	S	*	*			trans	61.8	138.2	152.6	-57.3	-3.1	0	0	0	122
130	D	56.6	Low	49.5	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	76%	0.764	S	S	*	*			cis	-169.1	171.4	-30.2	-131.1	-13.5	0	0	0	108.8
131	D	57.3	Low	49.2	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	77%	0.769	S	S	*	*			trans	58.6	146.8	161.6	-65.7	-22.9	0	0	0	120.2
132	E	56.5	Low	49	Very low	158 Å²	158	140.8 Å²	140.8	74%	0.738	77%	0.766	S	S	*	*			cis	-152.3	176.9	-13.6	-120.8	-148.6	122.6	0	0	110.7
133	N	47.8	Very low	48.4	Very low	124 Å²	124	141.8 Å²	141.8	66%	0.663	77%	0.766	S	S	*	*			trans	-51.2	160.5	-176.8	-52.9	-76.4	0	0	0	115.6
134	D	50	Low	48	Very low	144 Å²	144	143.4 Å²	143.4	77%	0.77	77%	0.766	S	S	*	*				-163.5	145.5	57	-103.9	-35.3	0	0	0	114.9
135	V	54	Low	47	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.715	77%	0.766	S	S	*	*			trans	45.1	130.8	131.3	-179.2	0	0	0	0	119.3
136	D	44.5	Very low	46.5	Very low	148 Å²	148	143 Å²	143	79%	0.791	77%	0.768	S	S	*	*			cis	-146	172.9	30.5	-144.1	-24.6	0	0	0	114.3
137	Q	42.1	Very low	45.3	Very low	185 Å²	185	140.8 Å²	140.8	86%	0.864	76%	0.756	S	S	*	*			trans	-104.4	165.9	-160.6	-64.3	173.6	-1.4	0	0	115.8
138	S	40	Very low	44.6	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	75%	0.754	S	S	*	*			trans	-130.1	161.3	166.2	68.7	0	0	0	0	110.1
139	P	44.2	Very low	43.4	Very low	130 Å²	130	139.7 Å²	139.7	84%	0.844	76%	0.756	S	S	*	*			trans	-117	127.3	160.5	34	-24.1	0	0	0	112.6
140	I	31.7	Very low	42.4	Very low	150 Å²	150	141 Å²	141	77%	0.769	76%	0.763	S	S	*	*			trans	-81.6	141.7	173	-63.6	164.4	0	0	0	109.8
141	A	39.4	Very low	41.2	Very low	97 Å²	97	138.3 Å²	138.3	80%	0.802	77%	0.767	S	S	*	*			trans	-132.8	125	161.4	0	0	0	0	0	110.7
142	N	35.1	Very low	40	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	78%	0.775	S	S	*	*			trans	-74	158.9	-179.3	-61	-63.2	0	0	0	112.2
143	I	37.9	Very low	38.9	Very low	145 Å²	145	137.7 Å²	137.7	74%	0.744	78%	0.777	S	S	*	*				170.4	124.4	116.9	-89.5	160.3	0	0	0	114
144	K	40.8	Very low	38.4	Very low	175 Å²	175	140.8 Å²	140.8	76%	0.761	79%	0.788	S	S	*	*			trans	47	97.6	149.8	-59.4	170	-163.5	170.9	0	120.2	I146	K144-I146 PolarHBondContact O-N 2.91Å
145	N	30.6	Very low	37.7	Very low	140 Å²	140	141.7 Å²	141.7	75%	0.749	79%	0.791	S	S	*	*				17	100.1	117	-172.9	36.7	0	0	0	117.3
146	I	39.9	Very low	36.8	Very low	145 Å²	145	141.9 Å²	141.9	74%	0.744	80%	0.796	S	S	*	*			trans	-128.2	100.7	152.8	-61.1	-177.2	0	0	0	108.7	K144 N148	K144-I146 PolarHBondContact O-N 2.91Å; I146-N148 PolarHBondContact O-N 2.85Å
147	N	32	Very low	36.3	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	80%	0.8	S	S	*	*			trans	-65.2	111.2	166.4	48	-72.2	0	0	0	111.4
148	N	38.3	Very low	36.1	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	80%	0.795	S	S	*	*			trans	-143.3	136.2	160.8	-95.3	-39.1	0	0	0	110	I146	I146-N148 PolarHBondContact O-N 2.85Å
149	N	34.6	Very low	35.8	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	79%	0.792	S	S	*	*			trans	-79.1	167.6	169.5	-68.6	-41.1	0	0	0	110.3
150	N	36.7	Very low	35.8	Very low	170 Å²	170	140.2 Å²	140.2	91%	0.909	78%	0.782	S	S	*	*			trans	88.7	136.2	179.8	-45.5	-30.9	0	0	0	114.7
151	G	31.4	Very low	36.4	Very low	77 Å²	77	139.7 Å²	139.7	79%	0.794	78%	0.781	S	S	*	*			trans	102.8	82.7	170.8	0	0	0	0	0	115.3
152	C	31.8	Very low	36.5	Very low	134 Å²	134	141.3 Å²	141.3	91%	0.905	78%	0.776	S	S	*	*			trans	-135.2	36.3	159.1	-167.1	0	0	0	0	111
153	D	34.9	Very low	37	Very low	148 Å²	148	140 Å²	140	79%	0.791	76%	0.764	S	S	*	*			trans	-98	154.5	157.5	-67	-66	0	0	0	107.8
154	Q	36.7	Very low	37.2	Very low	190 Å²	190	141.4 Å²	141.4	89%	0.888	77%	0.767	S	S	*	*			trans	74.8	81.7	-174.4	-49.1	179.4	38.5	0	0	116.1
155	I	35.5	Very low	37.2	Very low	162 Å²	162	142.4 Å²	142.4	83%	0.831	77%	0.771	S	S	*	*	S	Bend	trans	-151.6	144.1	137.2	-99.3	149.2	0	0	0	106.4
156	C	34.5	Very low	37.6	Very low	122 Å²	122	144.6 Å²	144.6	82%	0.824	78%	0.775	S	S	*	*			trans	64.7	88.6	-175.6	-61.1	0	0	0	0	116.5
157	Q	34.5	Very low	37.2	Very low	189 Å²	189	144.9 Å²	144.9	88%	0.883	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-92.3	136.6	151.3	-69.3	-176.7	-8.1	0	0	109.1
158	P	36.6	Very low	37.2	Very low	117 Å²	117	147.2 Å²	147.2	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.1	150.5	174.2	-13.3	29.6	0	0	0	112.7
159	T	35.2	Very low	36.8	Very low	104 Å²	104	147.7 Å²	147.7	64%	0.638	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-86	157	174.4	42.8	0	0	0	0	112.5	D161	T159-D161 VanDerWaalsContact C-N 3.35Å; T159-D161 PolarHBondContact O-N 3.41Å
160	D	43.7	Very low	36.4	Very low	121 Å²	121	147 Å²	147	65%	0.647	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-70	-19	-164.1	-65.6	-73.1	0	0	0	116.6	D162 K163	D160-D162 VanDerWaalsContact C-N 3.3Å; D160-D162 PolarHBondContact O-N 3.24Å; D160-K163 PolarHBondContact O-N 3.34Å
161	D	43.8	Very low	36.1	Very low	138 Å²	138	146 Å²	146	74%	0.738	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-65.3	-25.6	-173.8	-62.1	-66.2	0	0	0	114.6	T159 K163	T159-D161 VanDerWaalsContact C-N 3.35Å; T159-D161 PolarHBondContact O-N 3.41Å; D161-K163 PolarHBondContact O-N 3.3Å; D161-K163 VanDerWaalsContact O-N 3.12Å
162	D	42	Very low	35.9	Very low	132 Å²	132	148.9 Å²	148.9	71%	0.706	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-67	-12	-179.2	-80.9	-41.2	0	0	0	113.7	D160	D160-D162 VanDerWaalsContact C-N 3.3Å; D160-D162 PolarHBondContact O-N 3.24Å
163	K	45.4	Very low	35.7	Very low	112 Å²	112	146.1 Å²	146.1	49%	0.487	75%	0.75	S	S	.	*	G	3₁₀ helix	trans	-80.4	-19	-170.7	-71.2	174.3	175.5	-70	0	115.4	D160 D161	D160-K163 PolarHBondContact O-N 3.34Å; D161-K163 PolarHBondContact O-N 3.3Å; D161-K163 VanDerWaalsContact O-N 3.12Å
164	Q	41.8	Very low	35.4	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.813	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-99.9	11.3	-162.6	-58.7	-170	20.2	0	0	116.1
165	K	41.3	Very low	35.1	Very low	196 Å²	196	138.3 Å²	138.3	85%	0.852	72%	0.717	S	S	*	*	S	Bend	trans	-117.5	9.4	-169.2	-154.2	165.3	-177.8	171.9	0	116.2
166	F	38.4	Very low	35	Very low	187 Å²	187	134.5 Å²	134.5	82%	0.82	69%	0.692	S	S	*	*			trans	-111.3	-11.2	-172.5	-101.7	-84.4	0	0	0	116.7	Q168	F166-Q168 PolarHBondContact O-N 2.79Å
167	D	32.1	Very low	34.8	Very low	151 Å²	151	133.3 Å²	133.3	81%	0.807	67%	0.673	S	S	*	*	S	Bend	trans	-79.4	27.5	-173.4	-61.6	-28.4	0	0	0	114.7
168	Q	32.2	Very low	34.6	Very low	173 Å²	173	126.2 Å²	126.2	81%	0.808	64%	0.642	S	S	*	*	S	Bend	trans	-149.2	59.5	-172.8	-154.6	107.8	127	0	0	114.5	F166	F166-Q168 PolarHBondContact O-N 2.79Å
169	I	29.7	Very low	34.4	Very low	157 Å²	157	124.5 Å²	124.5	81%	0.805	63%	0.63	S	S	*	*			trans	-178	100.4	141.1	-90.6	147.4	0	0	0	107.3	I171	I169-I171 PolarHBondContact O-N 2.71Å
170	D	26.7	Very low	34.3	Very low	133 Å²	133	122.2 Å²	122.2	71%	0.711	61%	0.612	S	S	*	*			trans	-93.9	82.7	-177.5	-173.2	24.8	0	0	0	111.8	Q172	D170-Q172 PolarHBondContact OD1-NE2 3.42Å
171	I	29	Very low	33.7	Very low	150 Å²	150	120.4 Å²	120.4	77%	0.769	61%	0.606	S	S	*	*			trans	-136	78.1	166.1	-52.3	-178.8	0	0	0	108.3	I169 S173	I169-I171 PolarHBondContact O-N 2.71Å; I171-S173 PolarHBondContact O-N 2.93Å
172	Q	28.3	Very low	33.4	Very low	136 Å²	136	119.7 Å²	119.7	64%	0.636	60%	0.599	S	S	*	*			trans	-64.5	121.7	-174.9	-59.2	178.1	12.2	0	0	112.6	D170 N174	D170-Q172 PolarHBondContact OD1-NE2 3.42Å; Q172-N174 WeakPolarHBondContact CB-ND2 3.47Å; Q172-N174 PolarHBondContact O-N 2.93Å; Q172-N174 PolarHBondContact OE1-ND2 3.38Å
173	S	26.6	Very low	32.8	Very low	76 Å²	76	118.5 Å²	118.5	53%	0.531	60%	0.601	S	S	.	*			trans	-80.7	50.2	178	48.1	0	0	0	0	113	I171 V175	I171-S173 PolarHBondContact O-N 2.93Å; S173-V175 PolarHBondContact O-N 2.84Å
174	N	29.2	Very low	32.3	Very low	106 Å²	106	118.7 Å²	118.7	57%	0.567	61%	0.611	S	S	*	*			trans	-70.2	98.7	-177.4	-67.9	-25.1	0	0	0	111.6	Q172 R176	Q172-N174 WeakPolarHBondContact CB-ND2 3.47Å; Q172-N174 PolarHBondContact O-N 2.93Å; Q172-N174 PolarHBondContact OE1-ND2 3.38Å; N174-R176 PolarHBondContact O-N 2.83Å
175	V	30.8	Very low	31.9	Very low	69 Å²	69	119.9 Å²	119.9	42%	0.418	61%	0.614	S	S	.	*			trans	-66.6	115.8	170.5	-176.3	0	0	0	0	108.5	S173 F177	S173-V175 PolarHBondContact O-N 2.84Å; V175-F177 HydrophobicContact CG1-CD2 4.25Å; V175-F177 HydrophobicContact CG1-CE2 3.65Å; V175-F177 HydrophobicContact CG1-CZ 4.22Å
176	R	33.4	Very low	31.3	Very low	82 Å²	82	114.2 Å²	114.2	31%	0.309	61%	0.611	S	S	.	*			trans	-130.3	108.4	-169	-168.1	165.5	166.1	-172.6	0.8	110.3	L69 N76 F78 N174	L69-R176 HydrophobicContact CD1-CG 4.06Å; L69-R176 VanDerWaalsContact CD1-NE 3.33Å; L69-R176 HydrophobicContact CD2-CB 4.36Å; L69-R176 HydrophobicContact CD2-CG 3.92Å; L69-R176 HydrophobicContact CG-CG 4.46Å; N76-R176 PolarHBondContact ND2-NH2 3Å; F78-R176 HydrophobicContact CD1-CG 4.33Å; F78-R176 HydrophobicContact CE1-CG 4.16Å; N174-R176 PolarHBondContact O-N 2.83Å
177	F	29.2	Very low	31	Very low	96 Å²	96	112.5 Å²	112.5	42%	0.421	61%	0.609	S	S	.	*			trans	-91.3	136	176.5	-67.9	-88.1	0	0	0	110.3	L45 V175	L45-F177 HydrophobicContact CD2-CE1 3.45Å; L45-F177 VanDerWaalsContact CD2-CE1 3.45Å; L45-F177 HydrophobicContact CD2-CZ 3.53Å; L45-F177 HydrophobicContact CG-CE1 4.4Å; V175-F177 HydrophobicContact CG1-CD2 4.25Å; V175-F177 HydrophobicContact CG1-CE2 3.65Å; V175-F177 HydrophobicContact CG1-CZ 4.22Å
178	V	31.5	Very low	30.9	Very low	40 Å²	40	113.2 Å²	113.2	24%	0.242	61%	0.607	C	S	.	*			trans	-136	134.5	158.8	170.6	0	0	0	0	106.5	L69 N76 E180	L69-V178 HydrophobicContact CD1-CB 4.27Å; L69-V178 HydrophobicContact CD1-CG2 3.28Å; N76-V178 WeakPolarHBondContact OD1-CG2 3.39Å; V178-E180 HydrophobicContact CG1-CB 4.49Å
179	V	31.7	Very low	30.8	Very low	82 Å²	82	110.3 Å²	110.3	50%	0.497	60%	0.603	S	S	.	*			trans	-132.4	112.4	174.8	178.2	0	0	0	0	105.6	C41 I43	C41-V179 HydrophobicContact CB-CG1 3.84Å; C41-V179 WeakPolarHBondContact SG-CG1 3.16Å; I43-V179 HydrophobicContact CG1-CG2 4.23Å
180	E	33.8	Very low	30.9	Very low	56 Å²	56	114.2 Å²	114.2	26%	0.262	61%	0.608	S	S	.	*			trans	-128.4	123.8	-176.7	-169.7	-179.9	-154.3	0	0	108.2	R68 H72 V178	R68-E180 IonicContact CZ-OE2 3.3Å; R68-E180 IonicContact NE-OE2 3.19Å; R68-E180 PolarHBondContact NE-OE2 2.82Å; R68-E180 IonicContact NH2-OE2 3.04Å; R68-E180 PolarHBondContact NH2-OE2 2.97Å; H72-E180 IonicContact ND1-OE1 3.87Å; V178-E180 HydrophobicContact CG1-CB 4.49Å
181	P	31.6	Very low	31.1	Very low	82 Å²	82	115.4 Å²	115.4	53%	0.532	61%	0.614	S	S	.	*	B	Isolated β-bridge	trans	-71.6	134.9	-176.4	28.5	-34.3	0	0	0	111.4	S183	P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.13Å
182	Q	36.5	Very low	31.2	Very low	123 Å²	123	113.2 Å²	113.2	58%	0.575	61%	0.612	S	S	*	*			trans	-76.1	74.3	178.2	-71.1	-153.7	9.5	0	0	113	E42 T184	E42-Q182 PolarHBondContact OE1-NE2 2.96Å; Q182-T184 VanDerWaalsContact C-N 3.29Å; Q182-T184 PolarHBondContact O-N 2.63Å
183	S	30.4	Very low	31.4	Very low	108 Å²	108	113.5 Å²	113.5	76%	0.755	62%	0.617	S	S	*	*			trans	-76.2	71.8	171.3	175.6	0	0	0	0	112.2	P181	P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.13Å
184	T	33.4	Very low	31.7	Very low	115 Å²	115	116.7 Å²	116.7	71%	0.706	63%	0.628	S	S	*	*			trans	-134.6	58.5	176.7	-44.1	0	0	0	0	114.1	Q182	Q182-T184 VanDerWaalsContact C-N 3.29Å; Q182-T184 PolarHBondContact O-N 2.63Å
185	F	34.4	Very low	31.7	Very low	200 Å²	200	117.3 Å²	117.3	88%	0.877	64%	0.635	S	S	*	*			trans	-134.4	103.2	153.7	-93.1	-76.3	0	0	0	110.8	I187	F185-I187 VanDerWaalsContact C-N 3.33Å; F185-I187 PolarHBondContact O-N 2.65Å
186	G	28.6	Very low	31.7	Very low	76 Å²	76	119.8 Å²	119.8	78%	0.784	65%	0.651	S	S	*	*			trans	-77.8	76.3	179	0	0	0	0	0	112.3	H188	G186-H188 VanDerWaalsContact C-N 3.35Å; G186-H188 PolarHBondContact O-N 2.87Å
187	I	31.4	Very low	31.6	Very low	151 Å²	151	121.4 Å²	121.4	77%	0.774	67%	0.67	S	S	*	*			trans	-71.7	91.7	172.9	-55.4	-178.9	0	0	0	108.8	F185 P189	F185-I187 VanDerWaalsContact C-N 3.33Å; F185-I187 PolarHBondContact O-N 2.65Å; I187-P189 WeakPolarHBondContact O-CD 3.47Å
188	H	30.3	Very low	31.6	Very low	167 Å²	167	124.9 Å²	124.9	77%	0.773	69%	0.687	S	S	*	*			trans	-62.1	123.6	167.7	-103.5	-76.1	0	0	0	109.6	G186 R190	G186-H188 VanDerWaalsContact C-N 3.35Å; G186-H188 PolarHBondContact O-N 2.87Å; H188-R190 PolarHBondContact O-N 3.47Å; H188-R190 VanDerWaalsContact O-N 3.11Å
189	P	30.1	Very low	31.7	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	71%	0.709	S	S	*	*			trans	-68.6	112.4	172	28	-32.6	0	0	0	109	I187	I187-P189 WeakPolarHBondContact O-CD 3.47Å
190	R	32	Very low	31.7	Very low	239 Å²	239	132.8 Å²	132.8	90%	0.902	72%	0.724	S	S	*	*			trans	-116.7	127.7	169.3	-91.7	-168.8	169.4	-170	-2.2	110.5	H188	H188-R190 PolarHBondContact O-N 3.47Å; H188-R190 VanDerWaalsContact O-N 3.11Å
191	N	30.3	Very low	31.7	Very low	157 Å²	157	138 Å²	138	84%	0.84	75%	0.75	S	S	*	*			trans	-71.7	128.2	-171.2	-56.3	-25.1	0	0	0	112.5
192	S	32.3	Very low	31.9	Very low	104 Å²	104	145.2 Å²	145.2	73%	0.727	77%	0.767	S	S	*	*			trans	-148.5	93.2	149.9	54.9	0	0	0	0	106.8
193	I	33	Very low	31.8	Very low	142 Å²	142	145 Å²	145	73%	0.728	78%	0.776	S	S	*	*				54.6	100.5	94.3	-58.5	170.2	0	0	0	110.9
194	N	31.7	Very low	32	Very low	143 Å²	143	144 Å²	144	77%	0.765	77%	0.774	S	S	*	*			trans	-166.8	103.3	130.3	-92.8	-24.4	0	0	0	111.1
195	T	28.8	Very low	32.1	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	78%	0.775	S	S	*	*			trans	34.3	127.5	134.4	58.9	0	0	0	0	120.9
196	V	31.1	Very low	32	Very low	122 Å²	122	144.3 Å²	144.3	74%	0.739	77%	0.771	S	S	*	*				175.1	121.1	114.8	146.5	0	0	0	0	111.2
197	T	31.3	Very low	32.4	Very low	116 Å²	116	145.6 Å²	145.6	71%	0.712	76%	0.764	S	S	*	*			trans	53.6	147.4	157.7	58.2	0	0	0	0	121
198	E	29	Very low	32.6	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	76%	0.761	S	S	*	*			cis	-164.3	-170.2	-13.4	-120	176.4	-179.8	0	0	110.7
199	T	33.2	Very low	32.9	Very low	115 Å²	115	144.2 Å²	144.2	71%	0.706	76%	0.763	S	S	*	*			trans	80.2	80	161	68.1	0	0	0	0	122.8
200	H	33.1	Very low	33.3	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.806	76%	0.76	S	S	*	*				75.6	153	122.5	-73.5	-69.8	0	0	0	124.7
201	M	34.2	Very low	33.4	Very low	165 Å²	165	141.9 Å²	141.9	81%	0.813	76%	0.758	S	S	*	*			trans	73.2	128.5	175.3	-48.4	-64.1	-174	0	0	116.7
202	R	35	Very low	33.5	Very low	233 Å²	233	139.6 Å²	139.6	88%	0.879	75%	0.754	S	S	*	*			cis	-159.5	157.2	-26.6	-130.5	-178.4	171.7	-177	-1.9	107.8
203	P	34.5	Very low	33.4	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	76%	0.758	S	S	*	*			trans	-116.2	171.1	-156.2	42.2	-35.7	0	0	0	118.1
204	A	35.3	Very low	33.4	Very low	86 Å²	86	140 Å²	140	71%	0.711	76%	0.764	S	S	*	*			trans	-146.9	107.3	157	0	0	0	0	0	110.6
205	I	34	Very low	33.6	Very low	140 Å²	140	142.1 Å²	142.1	72%	0.718	77%	0.769	S	S	*	*				54.4	121.9	103	-33.7	140.8	0	0	0	113.2
206	F	33.9	Very low	34.1	Very low	182 Å²	182	142 Å²	142	80%	0.798	77%	0.771	S	S	*	*				-155.6	148.9	52.6	-100.3	-80.5	0	0	0	115.3
207	T	36.8	Very low	34.6	Very low	102 Å²	102	141.4 Å²	141.4	63%	0.626	77%	0.769	S	S	*	*			trans	9.2	156.9	142.4	57.9	0	0	0	0	122.8
208	N	34.2	Very low	34.6	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	77%	0.773	S	S	*	*			cis	-166.6	140.9	0.1	-97.9	-13.8	0	0	0	108.4
209	L	37.6	Very low	34.9	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	77%	0.774	S	S	*	*				74.9	146.8	84	-146.1	68.9	0	0	0	115.9
210	P	38.4	Very low	35.2	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	77%	0.771	S	S	*	*			cis	-140.8	170.7	-47.5	44.4	-29.2	0	0	0	118.4
211	K	33.3	Very low	35.1	Very low	200 Å²	200	140.6 Å²	140.6	87%	0.87	77%	0.765	S	S	*	*			trans	27.5	135.2	141.4	-61.1	177.5	177.8	179.7	0	125.8
212	S	32.8	Very low	35.1	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	76%	0.764	S	S	*	*			trans	-174.4	110.3	135.2	55.5	0	0	0	0	111.7
213	T	30.7	Very low	34.9	Very low	130 Å²	130	134.9 Å²	134.9	80%	0.798	75%	0.754	S	S	*	*				75.4	107.6	75	58.7	0	0	0	0	118.9
214	S	32.7	Very low	34.8	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	76%	0.757	S	S	*	*			trans	170.9	147	133.7	57.2	0	0	0	0	116.1
215	H	35.2	Very low	34.6	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	76%	0.76	S	S	*	*			trans	-123.4	-172.9	165.3	-80.9	-88.7	0	0	0	108.1
216	P	40.7	Very low	34.6	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	76%	0.764	S	S	*	*			cis	-116.6	-130.4	-35.8	30.7	-6.8	0	0	0	108.1
217	P	40.3	Very low	34.4	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	77%	0.766	S	S	*	*			cis	-134.5	-177	-25.1	40.4	-20.9	0	0	0	117.4
218	D	31	Very low	34.2	Very low	147 Å²	147	142 Å²	142	79%	0.786	78%	0.777	S	S	*	*			trans	-34.7	150.4	169.3	-38.8	-39.9	0	0	0	122
219	H	37.2	Very low	33.8	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.815	78%	0.78	S	S	*	*			trans	-168.7	120.7	135.7	-117.8	-75.1	0	0	0	117.3
220	V	37.7	Very low	33.5	Very low	105 Å²	105	139.6 Å²	139.6	64%	0.636	78%	0.784	S	S	*	*			trans	44.2	130.2	143.3	-59.9	0	0	0	0	127.5
221	N	31.9	Very low	32.9	Very low	128 Å²	128	143 Å²	143	68%	0.684	79%	0.793	S	S	*	*				60.3	125.1	126.5	-55.8	-6.5	0	0	0	125.2
222	N	34	Very low	32.8	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	79%	0.785	S	S	*	*				173.5	122.7	115	-83.9	-26.9	0	0	0	109.3
223	I	29.9	Very low	32.6	Very low	133 Å²	133	144 Å²	144	68%	0.682	79%	0.79	S	S	*	*				84.1	98.3	58.4	-63.7	171.4	0	0	0	114.8
224	L	33.7	Very low	32.3	Very low	160 Å²	160	144.7 Å²	144.7	84%	0.838	79%	0.787	S	S	*	*			trans	-169.4	109.3	142.2	-130.8	63.8	0	0	0	106.6
225	V	31.8	Very low	32.2	Very low	127 Å²	127	145.7 Å²	145.7	77%	0.77	78%	0.782	S	S	*	*				59.3	117.7	76.1	-177.9	0	0	0	0	110.6
226	S	32.8	Very low	31.7	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	78%	0.775	S	S	*	*			cis	-138.6	177.7	49.5	57.1	0	0	0	0	116.6
227	K	29	Very low	31.4	Very low	195 Å²	195	147 Å²	147	85%	0.848	78%	0.778	S	S	*	*			trans	-125.2	161	179.4	-66.9	-179.3	177.2	-179.4	0	111.1
228	Q	33.1	Very low	30.8	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	78%	0.776	S	S	*	*			trans	136.8	118.4	148.4	-75.6	164.3	20.2	0	0	109.1
229	S	26.8	Very low	30.9	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	77%	0.768	S	S	*	*			cis	78.2	89	42	82.9	0	0	0	0	114.7
230	S	31.3	Very low	30.4	Very low	128 Å²	128	141.9 Å²	141.9	90%	0.895	77%	0.765	S	S	*	*			trans	-152.4	162.6	158	-163.4	0	0	0	0	111.5
231	M	26.1	Very low	30.1	Very low	174 Å²	174	143.8 Å²	143.8	86%	0.857	77%	0.771	S	S	*	*			trans	-80.5	169.8	-165.6	-103.5	-163	117.5	0	0	115.2
232	P	30.5	Very low	29.8	Very low	108 Å²	108	146.3 Å²	146.3	70%	0.701	78%	0.779	S	S	*	*			trans	-75.4	165.1	-175.5	33.4	-37.8	0	0	0	113
233	Y	27.6	Very low	29.5	Very low	221 Å²	221	146.8 Å²	146.8	87%	0.867	78%	0.78	S	S	*	*			trans	-132.6	135.7	169.9	-135.3	-94	0	0	0	111.9	I235	Y233-I235 HydrophobicContact CD1-CG1 4.3Å
234	I	24.2	Very low	29.2	Very low	143 Å²	143	145.4 Å²	145.4	73%	0.733	78%	0.778	S	S	*	*			trans	-95.9	134.2	172.3	-63.6	169.1	0	0	0	107.5	Q236	I234-Q236 HydrophobicContact CG2-CG 4.19Å
235	I	31.4	Very low	28.9	Very low	145 Å²	145	145.2 Å²	145.2	74%	0.744	78%	0.777	S	S	*	*			trans	-126	108.8	157.9	-62.2	-176.6	0	0	0	108	Y233	Y233-I235 HydrophobicContact CD1-CG1 4.3Å
236	Q	25.4	Very low	28.6	Very low	155 Å²	155	145 Å²	145	72%	0.724	78%	0.778	S	S	*	*			trans	-75	145.3	163.2	-57.7	164.3	-95.1	0	0	108.7	I234	I234-Q236 HydrophobicContact CG2-CG 4.19Å
237	H	32.9	Very low	28.4	Very low	179 Å²	179	145.4 Å²	145.4	83%	0.829	78%	0.775	S	S	*	*				-147.6	117.2	123	-78.6	-60.9	0	0	0	106.2
238	S	28.9	Very low	28.2	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	76%	0.764	S	S	*	*				74.5	126.2	69.1	-157.5	0	0	0	0	110.7
239	S	32.1	Very low	27.9	Very low	87 Å²	87	137.6 Å²	137.6	61%	0.608	76%	0.755	S	S	*	*			cis	-161.6	154.1	9.1	9	0	0	0	0	112.4
240	N	27.9	Very low	28	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	73%	0.731	S	S	*	*			trans	35.6	136.3	131.9	-38.7	-12.9	0	0	0	118.6
241	N	31.3	Very low	27.8	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	71%	0.709	S	S	*	*			cis	-142.1	147.1	46.3	-70.3	-50.1	0	0	0	114.5
242	Q	25.8	Very low	27.9	Very low	181 Å²	181	129.8 Å²	129.8	85%	0.846	70%	0.702	S	S	*	*			trans	-93.4	134.1	154.7	-62	172.3	-5.6	0	0	108.6
243	I	27.6	Very low	27.8	Very low	156 Å²	156	130.8 Å²	130.8	80%	0.8	70%	0.702	S	S	*	*			trans	-138.7	81.4	157	-55	-176.4	0	0	0	110.1
244	T	24	Very low	27.7	Very low	103 Å²	103	125.9 Å²	125.9	63%	0.632	69%	0.69	S	S	*	*			trans	10.8	109.9	130.8	-47.7	0	0	0	0	119.7
245	L	25.9	Very low	27.9	Very low	157 Å²	157	124.2 Å²	124.2	82%	0.822	69%	0.687	S	S	*	*			trans	64.7	164.8	142.9	-59.8	177.5	0	0	0	118.9
246	P	26.8	Very low	27.8	Very low	122 Å²	122	125 Å²	125	79%	0.792	69%	0.687	S	S	*	*			cis	-122.1	-170.2	3.8	43.5	-29.6	0	0	0	115.3
247	V	28.1	Very low	28.1	Very low	123 Å²	123	122.6 Å²	122.6	75%	0.745	68%	0.679	S	S	*	*			trans	-84.8	136.9	173.6	175	0	0	0	0	111.2
248	D	25.2	Very low	28.1	Very low	114 Å²	114	120.1 Å²	120.1	61%	0.61	68%	0.676	S	S	*	*			trans	-165	131.1	147.1	-113.7	-32.2	0	0	0	107.6	T275	D248-T275 PolarHBondContact OD1-N 3.33Å
249	C	27	Very low	28.2	Very low	100 Å²	100	120.4 Å²	120.4	68%	0.676	67%	0.67	S	S	*	*	B	Isolated β-bridge	trans	-150.9	110.8	-170.6	-78.7	0	0	0	0	113.6	H274 T275	C249-H274 CarbonylContact C-O 3.56Å; C249-H274 PolarHBondContact N-O 3.27Å; C249-H274 CarbonylContact O-C 3.5Å; C249-H274 VanDerWaalsContact O-O 3.11Å; C249-T275 CarbonylContact C-O 3.39Å
250	A	27.7	Very low	28.1	Very low	33 Å²	33	121.6 Å²	121.6	27%	0.273	67%	0.669	S	S	.	*			trans	-150.7	170	-173.2	0	0	0	0	0	117.4	T275 T276	A250-T275 WeakPolarHBondContact CA-O 3.14Å; A250-T275 WeakPolarHBondContact CB-O 3.04Å; A250-T275 WeakPolarHBondContact CB-OG1 3.47Å; A250-T275 PolarHBondContact N-O 3.38Å; A250-T276 HydrophobicContact CB-CG2 4.44Å; A250-T276 WeakPolarHBondContact O-CG2 3.3Å
251	N	26.6	Very low	28.2	Very low	80 Å²	80	121.3 Å²	121.3	43%	0.428	67%	0.668	S	S	.	*			trans	10.1	116.1	147.9	-64.7	28.1	0	0	0	119.2	T276	N251-T276 VanDerWaalsContact O-CG2 3.3Å; N251-T276 WeakPolarHBondContact O-CG2 3.49Å
252	L	30	Very low	28.2	Very low	136 Å²	136	119.4 Å²	119.4	71%	0.712	66%	0.662	S	S	*	*				97	153.1	52.5	-90.1	151.5	0	0	0	111.8
253	N	26.5	Very low	28.2	Very low	130 Å²	130	119.4 Å²	119.4	70%	0.695	66%	0.655	S	S	*	*			trans	72.5	136.3	175.9	-58.5	10.3	0	0	0	113.6
254	D	26.3	Very low	28.3	Very low	117 Å²	117	119.7 Å²	119.7	63%	0.626	66%	0.655	S	S	*	*			cis	-139.3	139.1	0.5	-102.6	-46.8	0	0	0	109
255	T	28.2	Very low	28.5	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.663	66%	0.657	S	S	*	*				46.2	123.7	90.4	81.3	0	0	0	0	114.2
256	H	30.2	Very low	28.6	Very low	162 Å²	162	119.1 Å²	119.1	75%	0.75	65%	0.653	S	S	*	*				178.3	156	96.2	-115.2	-140.4	0	0	0	105.5
257	L	30.7	Very low	28.8	Very low	104 Å²	104	117.6 Å²	117.6	55%	0.545	65%	0.646	S	S	.	*			cis	-151.4	-178.1	-4.2	-153.1	48.3	0	0	0	103.9	D259	L257-D259 HydrophobicContact CD1-CB 4.48Å; L257-D259 WeakPolarHBondContact CD1-OD2 3.48Å; L257-D259 HydrophobicContact CG-CB 4.42Å
258	V	32.7	Very low	28.9	Very low	127 Å²	127	118.4 Å²	118.4	77%	0.77	65%	0.645	S	S	*	*			cis	-149	128.5	25.4	175.8	0	0	0	0	106.2
259	D	30.8	Very low	29.1	Very low	103 Å²	103	118.4 Å²	118.4	55%	0.551	65%	0.645	S	S	*	*				87.5	137.1	52	-84.7	13.3	0	0	0	113.7	L257	L257-D259 HydrophobicContact CD1-CB 4.48Å; L257-D259 WeakPolarHBondContact CD1-OD2 3.48Å; L257-D259 HydrophobicContact CG-CB 4.42Å
260	N	30.3	Very low	29.3	Very low	111 Å²	111	121.4 Å²	121.4	59%	0.594	65%	0.649	S	S	*	*			cis	-157.8	174.2	12.2	-136	-36.2	0	0	0	115.8
261	N	30.2	Very low	29.5	Very low	135 Å²	135	123.9 Å²	123.9	72%	0.722	66%	0.664	S	S	*	*			trans	87.7	55.2	155.1	-58	-28.5	0	0	0	121.5
262	T	31.2	Very low	29.9	Very low	105 Å²	105	128.3 Å²	128.3	64%	0.644	68%	0.68	S	S	*	*				14.6	143.1	110.1	-41.8	0	0	0	0	121.3
263	Y	26	Very low	30.1	Very low	182 Å²	182	126.8 Å²	126.8	71%	0.714	68%	0.678	S	S	*	*			trans	147.3	140	132.1	-86.1	-59.1	0	0	0	112.9
264	M	30.8	Very low	30.3	Very low	161 Å²	161	125.8 Å²	125.8	79%	0.793	67%	0.669	S	S	*	*			cis	-135.3	-171.6	1.4	-77.9	-79.3	177.2	0	0	109.7
265	N	27.6	Very low	30.4	Very low	127 Å²	127	122.8 Å²	122.8	68%	0.679	66%	0.655	S	S	*	*				-160	178.7	-91.4	-159.9	-1.9	0	0	0	110.1
266	T	28.7	Very low	30.4	Very low	121 Å²	121	121.1 Å²	121.1	74%	0.742	65%	0.645	S	S	*	*			trans	81.3	144.2	165.1	74.2	0	0	0	0	121.4
267	S	29.9	Very low	30.3	Very low	90 Å²	90	119.3 Å²	119.3	63%	0.629	65%	0.645	S	S	*	*				176.6	169.8	-52.3	45.5	0	0	0	0	114.7
268	L	30.8	Very low	30.2	Very low	141 Å²	141	121.3 Å²	121.3	74%	0.738	66%	0.655	S	S	*	*			trans	88.5	143	157.3	-47.3	-173	0	0	0	117.7
269	N	29.4	Very low	29.9	Very low	113 Å²	113	122.4 Å²	122.4	60%	0.604	66%	0.657	S	S	*	*			cis	-165.9	-172.8	-6.6	-111.3	0.3	0	0	0	109.3
270	H	31.6	Very low	29.8	Very low	164 Å²	164	122 Å²	122	76%	0.759	66%	0.662	S	S	*	*			cis	-159.1	179.3	4.5	-103.9	-57.5	0	0	0	107.3
271	S	30.5	Very low	29.7	Very low	85 Å²	85	123.9 Å²	123.9	59%	0.594	67%	0.672	S	S	*	*			cis	175.3	75.1	-39.2	-178.5	0	0	0	0	115.3
272	F	35.9	Very low	29.6	Very low	172 Å²	172	123.2 Å²	123.2	75%	0.754	67%	0.673	S	S	*	*			trans	66	176.1	153.2	-69.8	-87.4	0	0	0	119.9
273	P	33.3	Very low	29.4	Very low	105 Å²	105	122.3 Å²	122.3	68%	0.682	67%	0.671	S	S	*	*				-152.9	151.5	82.6	39.9	-19.7	0	0	0	120.6
274	H	31.1	Very low	29.5	Very low	108 Å²	108	121.6 Å²	121.6	50%	0.5	67%	0.674	S	S	.	*			trans	52.8	168.9	138.2	-76.6	-61.6	0	0	0	123.8	C249	C249-H274 CarbonylContact C-O 3.56Å; C249-H274 PolarHBondContact N-O 3.27Å; C249-H274 CarbonylContact O-C 3.5Å; C249-H274 VanDerWaalsContact O-O 3.11Å
275	T	29.3	Very low	29.3	Very low	54 Å²	54	119.4 Å²	119.4	33%	0.331	67%	0.666	S	S	.	*	B	Isolated β-bridge	cis	-97.1	-164.1	-28	-94.3	0	0	0	0	121.2	D248 C249 A250	D248-T275 PolarHBondContact OD1-N 3.33Å; C249-T275 CarbonylContact C-O 3.39Å; A250-T275 WeakPolarHBondContact CA-O 3.14Å; A250-T275 WeakPolarHBondContact CB-O 3.04Å; A250-T275 WeakPolarHBondContact CB-OG1 3.47Å; A250-T275 PolarHBondContact N-O 3.38Å
276	T	28.5	Very low	29.2	Very low	73 Å²	73	121.9 Å²	121.9	45%	0.448	67%	0.671	S	S	.	*			trans	-161.5	-178.1	-165.6	4.3	0	0	0	0	113.5	A250 N251	A250-T276 HydrophobicContact CB-CG2 4.44Å; A250-T276 WeakPolarHBondContact O-CG2 3.3Å; N251-T276 VanDerWaalsContact O-CG2 3.3Å; N251-T276 WeakPolarHBondContact O-CG2 3.49Å
277	V	26.4	Very low	29.1	Very low	124 Å²	124	121.4 Å²	121.4	75%	0.752	67%	0.672	S	S	*	*			cis	-130.8	-121.5	27.5	-150.7	0	0	0	0	115.2
278	I	29	Very low	29.3	Very low	146 Å²	146	122.4 Å²	122.4	75%	0.749	68%	0.676	S	S	*	*			cis	-157.8	171.1	17.5	-71.6	-77.3	0	0	0	110.4
279	N	27.4	Very low	29.2	Very low	151 Å²	151	123.7 Å²	123.7	81%	0.807	68%	0.682	S	S	*	*			trans	-122.3	-179.4	-179.1	-85.1	-35.7	0	0	0	113.8
280	S	29.1	Very low	29	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	69%	0.687	S	S	*	*			cis	-175	148.1	37	57.3	0	0	0	0	117.6
281	N	27	Very low	28.9	Very low	149 Å²	149	124.9 Å²	124.9	80%	0.797	69%	0.694	S	S	*	*			trans	52.7	163.3	139.1	-46.6	-10.7	0	0	0	121.9
282	T	27.3	Very low	28.7	Very low	121 Å²	121	127.7 Å²	127.7	74%	0.742	71%	0.708	S	S	*	*			cis	-150.7	165.3	19.3	52	0	0	0	0	115.4
283	S	28.1	Very low	28.2	Very low	87 Å²	87	123 Å²	123	61%	0.608	71%	0.709	S	S	*	*			trans	62.4	114.2	141.4	62.5	0	0	0	0	121.8
284	E	27.3	Very low	27.8	Very low	167 Å²	167	127.5 Å²	127.5	78%	0.78	72%	0.72	S	S	*	*				82.9	147	91.7	-75.1	177.6	-124.7	0	0	115.2
285	N	26.6	Very low	27.4	Very low	115 Å²	115	130.8 Å²	130.8	62%	0.615	74%	0.738	S	S	*	*			cis	-161.9	-179.7	4.7	-108.2	-24.8	0	0	0	112.4
286	F	27	Very low	27.1	Very low	179 Å²	179	137.2 Å²	137.2	79%	0.785	76%	0.764	S	S	*	*			trans	83.1	94.6	156.4	-67.7	-66.9	0	0	0	123.5
287	S	26.3	Very low	26.8	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	78%	0.779	S	S	*	*				63.9	154.7	109.1	-59.1	0	0	0	0	124.3
288	P	33.3	Very low	26.6	Very low	111 Å²	111	139 Å²	139	72%	0.721	78%	0.779	S	S	*	*			trans	-120.1	174.6	-155.5	43.3	-31.2	0	0	0	116.6
289	I	28.8	Very low	26.3	Very low	168 Å²	168	139.2 Å²	139.2	86%	0.862	78%	0.781	S	S	*	*			trans	-133.5	146	163.8	-58.3	-179.7	0	0	0	109.5
290	N	25.9	Very low	26.3	Very low	134 Å²	134	139.7 Å²	139.7	72%	0.717	78%	0.783	S	S	*	*			trans	-90.1	160	-172.7	-47.2	-41.5	0	0	0	113.1
291	N	29.9	Very low	26	Very low	168 Å²	168	140.7 Å²	140.7	90%	0.898	79%	0.785	S	S	*	*				-165.8	162.1	125.5	-96.7	-23.8	0	0	0	112.2
292	T	25.9	Very low	26.2	Very low	145 Å²	145	138.3 Å²	138.3	89%	0.89	78%	0.778	S	S	*	*			trans	-103.3	154.6	-160.8	45.1	0	0	0	0	114.6
293	G	24.7	Very low	26.2	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	78%	0.78	S	S	*	*			trans	-170	41.7	-177	0	0	0	0	0	116.1
294	Q	25.3	Very low	26.4	Very low	199 Å²	199	139.8 Å²	139.8	93%	0.93	79%	0.785	S	S	*	*			trans	24.3	110.8	167.5	-66.3	-178.3	-11.7	0	0	119.3
295	M	22.2	Very low	26.2	Very low	177 Å²	177	142.2 Å²	142.2	87%	0.872	79%	0.789	S	S	*	*			trans	-100.6	145.7	150.5	-66	-154.4	-58.5	0	0	109.9
296	Q	23	Very low	26.2	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	79%	0.787	S	S	*	*			trans	-107	105.6	176.3	-166.1	172.9	16.5	0	0	110.7
297	C	21.8	Very low	26.2	Very low	113 Å²	113	140.9 Å²	140.9	76%	0.764	79%	0.787	S	S	*	*			trans	-113.1	134.7	167.4	-66.2	0	0	0	0	108.6
298	T	23.7	Very low	26.1	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	78%	0.782	S	S	*	*			trans	-116.6	121.3	170.5	-55.2	0	0	0	0	109.4
299	L	22.9	Very low	25.7	Very low	149 Å²	149	141.4 Å²	141.4	78%	0.78	78%	0.775	S	S	*	*			trans	-112.1	121.9	-178.7	-178.9	89	0	0	0	108.4	T301	L299-T301 HydrophobicContact CD2-CG2 4.39Å; L299-T301 HydrophobicContact CG-CG2 4.24Å
300	L	25.5	Very low	25.5	Very low	162 Å²	162	141.8 Å²	141.8	85%	0.848	77%	0.771	S	S	*	*			trans	-133.7	147.4	168.1	-74.9	176.7	0	0	0	110.7
301	T	24	Very low	25.6	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	77%	0.773	S	S	*	*			trans	-128.6	-165.7	-161.3	65.6	0	0	0	0	110	L299	L299-T301 HydrophobicContact CD2-CG2 4.39Å; L299-T301 HydrophobicContact CG-CG2 4.24Å
302	P	30.9	Very low	25.7	Very low	100 Å²	100	136.4 Å²	136.4	65%	0.649	75%	0.746	S	S	*	*				-130.9	172.6	-114.6	35.3	-13.3	0	0	0	117.1
303	T	26.7	Very low	25.8	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	72%	0.718	S	S	*	*			trans	71.4	171.8	165.3	84	0	0	0	0	116
304	P	32.7	Very low	25.8	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	69%	0.691	S	S	*	*			cis	-131.3	177.7	-10.6	28.5	-6.7	0	0	0	115.9
305	Y	23.8	Very low	25.8	Very low	218 Å²	218	124.7 Å²	124.7	86%	0.855	67%	0.666	S	S	*	*			trans	88.3	160.4	147.2	-113.9	-111.4	0	0	0	122.5
306	T	25.9	Very low	26	Very low	94 Å²	94	120.4 Å²	120.4	58%	0.577	64%	0.642	S	S	*	*			trans	-77.1	159.9	-163.4	52.3	0	0	0	0	113.6
307	Q	26.1	Very low	26.1	Very low	171 Å²	171	116.2 Å²	116.2	80%	0.799	63%	0.625	S	S	*	*				-159.3	155.2	71.5	-86.5	165.1	1	0	0	115.9
308	D	24.9	Very low	26.2	Very low	122 Å²	122	113.6 Å²	113.6	65%	0.652	60%	0.603	S	S	*	*			trans	43.6	123.6	153.2	-69.4	-72.3	0	0	0	125.7
309	L	25	Very low	26.2	Very low	111 Å²	111	111.6 Å²	111.6	58%	0.581	59%	0.594	S	S	*	*				47.1	127.4	129.1	-59.1	167.6	0	0	0	119.4
310	K	25.4	Very low	26.3	Very low	176 Å²	176	109.2 Å²	109.2	77%	0.765	59%	0.59	S	S	*	*				-174.3	150.6	69	-108.8	118.5	-175.8	177.2	0	113.1
311	V	27.8	Very low	26.2	Very low	126 Å²	126	106.1 Å²	106.1	76%	0.764	58%	0.578	S	S	*	*			trans	45.8	156.7	160	-87	0	0	0	0	121.6
312	D	30.8	Very low	26.4	Very low	62 Å²	62	106.5 Å²	106.5	33%	0.332	58%	0.58	S	S	.	*			cis	-138.4	-120.8	-26.3	-154.7	-10.6	0	0	0	109.5	K9 F10	K9-D312 WeakPolarHBondContact CA-OD1 3.46Å; F10-D312 WeakPolarHBondContact CB-OD1 3.43Å; F10-D312 WeakPolarHBondContact CD2-O 3.49Å; F10-D312 PolarHBondContact N-OD1 3.18Å
313	Q	29.7	Very low	26.1	Very low	67 Å²	67	105.8 Å²	105.8	31%	0.313	58%	0.577	S	S	.	*			cis	-141.2	134.7	-35.9	-135.8	-40.6	-64.8	0	0	107.3	I8	I8-Q313 PolarHBondContact O-NE2 3.4Å
314	P	24.7	Very low	26	Very low	28 Å²	28	105.7 Å²	105.7	18%	0.182	57%	0.572	C	S	.	*			trans	-90.8	134.8	-178.5	-10.4	28.5	0	0	0	116.8	I8 K9	I8-P314 HydrophobicContact CG2-CB 4.01Å; I8-P314 HydrophobicContact CG2-CG 3.96Å; K9-P314 WeakPolarHBondContact O-CG 3.48Å
315	L	25.3	Very low	25.9	Very low	78 Å²	78	107.2 Å²	107.2	41%	0.408	57%	0.574	S	S	.	*			trans	-45.6	130.3	175.2	-167.7	79.5	0	0	0	115.2	L28	L28-L315 HydrophobicContact CD2-CD2 4.25Å
316	F	25.5	Very low	26	Very low	86 Å²	86	106.7 Å²	106.7	38%	0.377	58%	0.579	S	S	.	*			trans	-101.5	158.6	165.8	-76	-88.6	0	0	0	111.6	I8 M84	I8-F316 HydrophobicContact CB-CE1 4.45Å; I8-F316 HydrophobicContact CB-CE2 4.12Å; I8-F316 HydrophobicContact CB-CZ 3.67Å; I8-F316 HydrophobicContact CG1-CE1 3.98Å; I8-F316 HydrophobicContact CG1-CZ 3.68Å; I8-F316 HydrophobicContact CG2-CD2 4.32Å; I8-F316 HydrophobicContact CG2-CE1 4.3Å; I8-F316 HydrophobicContact CG2-CE2 3.52Å; I8-F316 HydrophobicContact CG2-CZ 3.52Å; M84-F316 HydrophobicContact CE-CB 3.49Å; M84-F316 VanDerWaalsContact CE-CB 3.49Å
317	I	24.3	Very low	26.3	Very low	101 Å²	101	106.6 Å²	106.6	52%	0.518	58%	0.582	S	S	.	*			trans	-118	128.9	176.1	-49.4	169.5	0	0	0	108.8	L28	L28-I317 HydrophobicContact CD1-CD1 3.6Å; L28-I317 HydrophobicContact CD1-CG1 4.17Å
318	L	24.5	Very low	26.5	Very low	57 Å²	57	105.7 Å²	105.7	30%	0.298	58%	0.582	S	S	.	*			trans	-132.1	125.2	164.6	-78.8	178.5	0	0	0	108.6	M84 L87	M84-L318 HydrophobicContact CE-CB 3.81Å; M84-L318 HydrophobicContact CE-CD1 3.92Å; M84-L318 HydrophobicContact CE-CG 3.61Å; M84-L318 HydrophobicContact SD-CB 3.96Å; M84-L318 HydrophobicContact SD-CD1 3.9Å; M84-L318 HydrophobicContact SD-CG 4.08Å; L87-L318 HydrophobicContact CB-CD1 3.94Å; L87-L318 HydrophobicContact CD1-CD1 4.14Å
319	S	24.2	Very low	26.7	Very low	82 Å²	82	108.6 Å²	108.6	57%	0.573	59%	0.592	S	S	*	*			trans	-89.7	131.3	170.9	52.1	0	0	0	0	110.1
320	S	23.8	Very low	26.9	Very low	99 Å²	99	110.4 Å²	110.4	69%	0.692	60%	0.602	S	S	*	*			trans	-97.1	138.6	152.9	-165.9	0	0	0	0	108
321	V	24.8	Very low	27.1	Very low	97 Å²	97	107.8 Å²	107.8	59%	0.588	60%	0.601	S	S	*	*			trans	-121.9	112.2	176.7	178	0	0	0	0	107.3
322	V	27.3	Very low	27.3	Very low	123 Å²	123	109.7 Å²	109.7	75%	0.745	61%	0.606	S	S	*	*			trans	-97.3	93.5	176.5	-178.1	0	0	0	0	108.4	N324	V322-N324 PolarHBondContact O-N 3.17Å
323	S	24.5	Very low	27.1	Very low	84 Å²	84	113.7 Å²	113.7	59%	0.587	63%	0.627	S	S	*	*			trans	-81.8	108.4	175.1	-61.5	0	0	0	0	110.8	N325	S323-N325 PolarHBondContact O-N 2.83Å; S323-N325 VanDerWaalsContact O-N 3.14Å
324	N	25.5	Very low	27.1	Very low	129 Å²	129	117 Å²	117	69%	0.69	65%	0.653	S	S	*	*			trans	-68.4	105.1	167.2	-77.8	-25.6	0	0	0	109.9	V322	V322-N324 PolarHBondContact O-N 3.17Å
325	N	30.1	Very low	27.2	Very low	141 Å²	141	122.4 Å²	122.4	75%	0.754	68%	0.68	S	S	*	*			trans	-128.5	90.7	168.8	-91.9	-40	0	0	0	110.2	S323	S323-N325 PolarHBondContact O-N 2.83Å; S323-N325 VanDerWaalsContact O-N 3.14Å
326	H	27.1	Very low	27.5	Very low	207 Å²	207	127.5 Å²	127.5	96%	0.958	71%	0.706	S	S	*	*			trans	-91.7	101.2	163	-107.9	29.8	0	0	0	108.6
327	S	31	Very low	27.6	Very low	91 Å²	91	129.1 Å²	129.1	64%	0.636	72%	0.724	S	S	*	*			trans	-147.3	139.5	161.1	74.7	0	0	0	0	110.8
328	N	31.1	Very low	27.8	Very low	152 Å²	152	130 Å²	130	81%	0.813	74%	0.739	S	S	*	*			trans	67.8	84.4	163.9	-52.2	-20.3	0	0	0	116.2	N330	N328-N330 PolarHBondContact O-N 3.2Å
329	Q	27.5	Very low	27.9	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	76%	0.758	S	S	*	*			trans	-57.3	127.2	140	-66.1	174.1	-15.1	0	0	108.5
330	N	30.3	Very low	28.3	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	77%	0.773	S	S	*	*			trans	-179.1	142.8	133	-100.2	-33.5	0	0	0	113.4	N328	N328-N330 PolarHBondContact O-N 3.2Å
331	V	29.5	Very low	28.4	Very low	121 Å²	121	136.8 Å²	136.8	73%	0.733	77%	0.774	S	S	*	*			trans	56.1	92	149.4	-177	0	0	0	0	117.1
332	L	31.5	Very low	28.7	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	79%	0.79	S	S	*	*				-164.6	140.8	105	-103.5	168.6	0	0	0	111.8
333	N	26.3	Very low	28.8	Very low	146 Å²	146	144.2 Å²	144.2	78%	0.781	80%	0.796	S	S	*	*			trans	-98.7	133.6	179.7	-61.7	-36.2	0	0	0	110.9
334	T	31.2	Very low	29.3	Very low	138 Å²	138	145.5 Å²	145.5	85%	0.847	80%	0.803	S	S	*	*			trans	-145.1	93.5	148.3	48.6	0	0	0	0	111.5
335	N	26	Very low	29.4	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	81%	0.806	S	S	*	*			trans	11.4	118.3	147.2	-51.2	-18.3	0	0	0	118.6
336	L	31.5	Very low	29.5	Very low	184 Å²	184	147.1 Å²	147.1	96%	0.963	81%	0.805	S	S	*	*			trans	-145.3	134.1	133.5	-107.6	153.5	0	0	0	108.1
337	T	27	Very low	29.5	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	79%	0.792	S	S	*	*			trans	-121.6	128	-153.8	51.4	0	0	0	0	113.6
338	S	30.3	Very low	29.4	Very low	120 Å²	120	146.8 Å²	146.8	84%	0.839	81%	0.805	S	S	*	*			trans	-158.7	83.8	153.1	60.7	0	0	0	0	110.8
339	S	25.8	Very low	29.3	Very low	100 Å²	100	148.5 Å²	148.5	70%	0.699	81%	0.806	S	S	*	*			trans	-73.3	141.2	173.1	-52.7	0	0	0	0	111.3
340	V	32.5	Very low	29.6	Very low	147 Å²	147	148.5 Å²	148.5	89%	0.891	81%	0.81	S	S	*	*			trans	-133.2	118.8	144.4	-173.7	0	0	0	0	106.8
341	N	25.4	Very low	29.8	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	80%	0.803	S	S	*	*			trans	-89.9	159.7	178.9	-51.2	-30.5	0	0	0	109.9
342	M	31.8	Very low	30.4	Very low	189 Å²	189	144.7 Å²	144.7	93%	0.931	81%	0.808	S	S	*	*				-162.1	150.1	120.7	-95.4	-49.5	179.9	0	0	109.7
343	E	28.8	Very low	31	Very low	187 Å²	187	142 Å²	142	87%	0.874	80%	0.801	S	S	*	*			trans	-98.4	165.7	-169.7	-95.8	-171.9	92.9	0	0	114.6
344	P	35.2	Very low	31.3	Very low	111 Å²	111	141.7 Å²	141.7	72%	0.721	80%	0.799	S	S	*	*			trans	-91	179.7	174.4	40.1	-36.6	0	0	0	112
345	E	28.8	Very low	31.6	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	80%	0.795	S	S	*	*			trans	-171.5	166.7	153.5	-108.7	-100.8	85.4	0	0	112.6
346	L	30.3	Very low	32	Very low	140 Å²	140	139.6 Å²	139.6	73%	0.733	79%	0.787	S	S	*	*			trans	60	108.7	171.2	-44.9	-172.8	0	0	0	117.2
347	A	27.1	Very low	31.9	Very low	83 Å²	83	139.3 Å²	139.3	69%	0.686	78%	0.78	S	S	*	*			cis	79.5	98.4	23.1	0	0	0	0	0	117.2
348	F	29.6	Very low	32.2	Very low	207 Å²	207	141.8 Å²	141.8	91%	0.908	79%	0.788	S	S	*	*			trans	-169.1	118	149.1	-98.3	-76.8	0	0	0	106.5
349	K	29.6	Very low	32.1	Very low	189 Å²	189	140.5 Å²	140.5	82%	0.822	78%	0.779	S	S	*	*			cis	95.9	93.7	31.6	-171.1	-178.3	-179.1	177.9	0	113.6
350	L	34.1	Very low	32.4	Very low	182 Å²	182	143.6 Å²	143.6	95%	0.953	79%	0.788	S	S	*	*			trans	175.4	145.3	161	-93.5	160	0	0	0	105.3
351	G	32.9	Very low	32.1	Very low	63 Å²	63	147 Å²	147	65%	0.649	78%	0.784	S	S	*	*			cis	156.7	101.8	-4	0	0	0	0	0	109.9
352	P	43.7	Very low	32.6	Very low	128 Å²	128	149.1 Å²	149.1	83%	0.831	79%	0.79	S	S	*	*			trans	-94.3	157.7	-167.3	36.9	-37.1	0	0	0	115.4
353	P	42.4	Very low	32.6	Very low	110 Å²	110	146.1 Å²	146.1	71%	0.714	78%	0.777	S	S	*	*			trans	-142.6	167.1	137.3	41.4	-27.9	0	0	0	112.3
354	D	33.9	Very low	32.4	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	78%	0.78	S	S	*	*			cis	-162.8	164.5	-12	-123.6	-30.7	0	0	0	113.8
355	L	37.4	Very low	32.2	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	78%	0.781	S	S	*	*			trans	63.5	156.2	144.8	-72.2	172.1	0	0	0	122.8
356	P	33.8	Very low	32.2	Very low	89 Å²	89	147.9 Å²	147.9	58%	0.578	78%	0.784	S	S	*	*				-146.8	-168.4	-125.7	47.8	-28	0	0	0	117.6
357	H	28.7	Very low	32.2	Very low	177 Å²	177	147.2 Å²	147.2	82%	0.819	79%	0.791	S	S	*	*			trans	49.8	123	150.2	-60.7	-47.8	0	0	0	120.9
358	L	33.4	Very low	32.2	Very low	174 Å²	174	149.5 Å²	149.5	91%	0.911	80%	0.8	S	S	*	*				-151	149	117.2	-110.4	166.4	0	0	0	110.2
359	S	28	Very low	32.2	Very low	93 Å²	93	148.7 Å²	148.7	65%	0.65	80%	0.799	S	S	*	*			trans	-138.9	139	-176.6	141	0	0	0	0	108.4
360	N	32.5	Very low	32.1	Very low	165 Å²	165	148 Å²	148	88%	0.882	80%	0.799	S	S	*	*			trans	-136.8	126	156.3	-91.9	-29	0	0	0	109.9
361	R	27.8	Very low	31.9	Very low	218 Å²	218	148.2 Å²	148.2	82%	0.823	80%	0.795	S	S	*	*			trans	-88.5	151.3	161.2	-78.1	170.9	151.9	-174.2	-10.4	108
362	H	34.5	Very low	31.6	Very low	177 Å²	177	153.4 Å²	153.4	82%	0.819	80%	0.802	S	S	*	*			trans	-126.8	107.5	140.5	-94.4	-46.5	0	0	0	108.8
363	D	32.1	Very low	31.1	Very low	126 Å²	126	155.9 Å²	155.9	67%	0.674	80%	0.803	S	S	*	*				35.8	112.5	126.1	-44.6	-50.2	0	0	0	118
364	Y	24.1	Very low	30.6	Very low	239 Å²	239	157.4 Å²	157.4	94%	0.937	80%	0.803	S	S	*	*			trans	-88.8	138.1	155.6	-121.2	-100.2	0	0	0	108
365	S	31	Very low	30.5	Very low	104 Å²	104	157.6 Å²	157.6	73%	0.727	80%	0.804	S	S	*	*			trans	-137.5	133.7	171.4	61	0	0	0	0	111.1
366	D	29	Very low	30.3	Very low	157 Å²	157	157 Å²	157	84%	0.84	80%	0.802	S	S	*	*			trans	-47	146.6	-169	-49.6	-63.3	0	0	0	117.3
367	S	30.9	Very low	30.1	Very low	125 Å²	125	163.6 Å²	163.6	87%	0.874	82%	0.817	S	S	*	*				-164.4	115.6	124.5	-78.4	0	0	0	0	110.2
368	C	26.9	Very low	30.2	Very low	131 Å²	131	165.5 Å²	165.5	89%	0.885	82%	0.817	S	S	*	*			trans	-89.4	132.4	161.9	-64.7	0	0	0	0	108.7
369	E	29.4	Very low	30	Very low	190 Å²	190	163.2 Å²	163.2	89%	0.888	82%	0.815	S	S	*	*			trans	-154.2	168.2	142.6	-124	162.7	-151.8	0	0	112.3
370	Q	27.2	Very low	30	Very low	175 Å²	175	161.5 Å²	161.5	82%	0.818	81%	0.812	S	S	*	*			trans	-86.9	148.6	-153.8	-58.8	151	16.4	0	0	112.4
371	H	30.1	Very low	29.8	Very low	187 Å²	187	160.5 Å²	160.5	87%	0.866	81%	0.812	S	S	*	*				-156.3	134.4	127.5	-129.1	-82.5	0	0	0	112.8
372	E	27.9	Very low	29.7	Very low	172 Å²	172	160.8 Å²	160.8	80%	0.804	82%	0.815	S	S	*	*			trans	-76.9	142.5	162.8	-64.4	177.4	111.6	0	0	109.5
373	Q	32.8	Very low	29.3	Very low	180 Å²	180	160.9 Å²	160.9	84%	0.841	82%	0.815	S	S	*	*			trans	-145.7	130.8	156.2	-162.4	154.8	2.2	0	0	109.7
374	I	30.8	Very low	28.9	Very low	142 Å²	142	161.7 Å²	161.7	73%	0.728	82%	0.82	S	S	*	*			trans	-105.1	112.2	-173.7	-62.4	171.3	0	0	0	108.2	D376	I374-D376 PolarHBondContact O-N 2.79Å; I374-D376 VanDerWaalsContact O-N 3.16Å
375	D	32.8	Very low	29.1	Very low	142 Å²	142	157.9 Å²	157.9	76%	0.759	82%	0.815	S	S	*	*			trans	-80.7	96.1	179.1	-81	-34.3	0	0	0	112.3	Y377	D375-Y377 PolarHBondContact O-N 2.85Å; D375-Y377 VanDerWaalsContact O-N 3.15Å
376	D	32.1	Very low	28.8	Very low	134 Å²	134	158.9 Å²	158.9	72%	0.717	82%	0.816	S	S	*	*			trans	-81.2	80.7	-178.6	-151.6	7.6	0	0	0	111.5	I374 R378	I374-D376 PolarHBondContact O-N 2.79Å; I374-D376 VanDerWaalsContact O-N 3.16Å; D376-R378 PolarHBondContact O-N 3.36Å; D376-R378 VanDerWaalsContact O-N 3.15Å
377	Y	30.5	Very low	28.6	Very low	228 Å²	228	157.4 Å²	157.4	89%	0.894	81%	0.808	S	S	*	*			trans	-88.6	76.7	172.8	-96.6	-78.9	0	0	0	113.9	D375	D375-Y377 PolarHBondContact O-N 2.85Å; D375-Y377 VanDerWaalsContact O-N 3.15Å
378	R	31.2	Very low	28.5	Very low	217 Å²	217	160.5 Å²	160.5	82%	0.819	81%	0.809	S	S	*	*			trans	-60.8	133.1	178.4	-177.7	173.1	176.7	162.7	-4.6	113.4	D376 G380	D376-R378 PolarHBondContact O-N 3.36Å; D376-R378 VanDerWaalsContact O-N 3.15Å; R378-G380 PolarHBondContact O-N 3.49Å; R378-G380 VanDerWaalsContact O-N 3.13Å
379	S	27.5	Very low	28.4	Very low	125 Å²	125	162.7 Å²	162.7	87%	0.874	80%	0.803	S	S	*	*			trans	-67.6	105.7	171.7	173.1	0	0	0	0	111.7
380	G	28.6	Very low	28.2	Very low	57 Å²	57	159.7 Å²	159.7	59%	0.588	80%	0.798	S	S	*	*			trans	-126.2	120.1	165.2	0	0	0	0	0	110	R378	R378-G380 PolarHBondContact O-N 3.49Å; R378-G380 VanDerWaalsContact O-N 3.13Å
381	V	29.4	Very low	28.1	Very low	144 Å²	144	157.1 Å²	157.1	87%	0.873	79%	0.794	S	S	*	*				82.6	137.4	93.1	173.4	0	0	0	0	112.3
382	Y	24.1	Very low	28	Very low	225 Å²	225	155.9 Å²	155.9	88%	0.882	79%	0.794	S	S	*	*			trans	-70.9	141.1	177.4	-75.5	-131.8	0	0	0	110
383	E	26.2	Very low	27.9	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	79%	0.788	S	S	*	*				-169.7	-175.8	111	-109.5	-171.4	-173.8	0	0	113.9
384	N	24.7	Very low	27.6	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	78%	0.783	S	S	*	*			trans	-70.9	136.5	-161.7	-51.2	-74.3	0	0	0	114.1
385	L	27.3	Very low	27.4	Very low	160 Å²	160	149.3 Å²	149.3	84%	0.838	78%	0.782	S	S	*	*			trans	-144	84.1	159.3	-112.3	160.7	0	0	0	110
386	V	25.5	Very low	27.1	Very low	124 Å²	124	149.7 Å²	149.7	75%	0.752	78%	0.784	S	S	*	*			trans	-116.2	142.1	166.1	170.7	0	0	0	0	106.6
387	N	25.8	Very low	27	Very low	126 Å²	126	151.8 Å²	151.8	67%	0.674	79%	0.794	S	S	*	*			trans	71.8	94.8	-177.3	-56.7	-25.4	0	0	0	116.6
388	H	28.3	Very low	26.9	Very low	191 Å²	191	148 Å²	148	88%	0.884	79%	0.79	S	S	*	*			trans	-120.5	78.5	136.6	-110	-63.5	0	0	0	109.5
389	F	24.3	Very low	26.9	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.772	79%	0.786	S	S	*	*			trans	-85	134.6	154.2	-93	-93	0	0	0	107.9
390	T	24.9	Very low	27.1	Very low	128 Å²	128	145.8 Å²	145.8	79%	0.785	78%	0.783	S	S	*	*				178.5	126.5	107.9	31.1	0	0	0	0	113.2
391	T	26	Very low	26.9	Very low	120 Å²	120	149.3 Å²	149.3	74%	0.736	79%	0.787	S	S	*	*			trans	8.3	129.6	144.5	55.3	0	0	0	0	121.7
392	N	27	Very low	27	Very low	162 Å²	162	150.6 Å²	150.6	87%	0.866	79%	0.788	S	S	*	*			trans	-163	151.9	137	-90.9	-46.5	0	0	0	108.2
393	S	25.2	Very low	26.9	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	78%	0.78	S	S	*	*			cis	-169.1	-174.8	-30.9	-165.4	0	0	0	0	107.7
394	I	26.9	Very low	27	Very low	143 Å²	143	141.1 Å²	141.1	73%	0.733	77%	0.774	S	S	*	*			trans	65.9	87.8	162.3	-56.2	161.4	0	0	0	114.8
395	T	26.8	Very low	27.1	Very low	116 Å²	116	140 Å²	140	71%	0.712	77%	0.773	S	S	*	*				69.3	121.8	78.2	66.9	0	0	0	0	117.6
396	N	26	Very low	27.1	Very low	150 Å²	150	138.2 Å²	138.2	80%	0.802	77%	0.768	S	S	*	*			trans	39.8	129.5	149.2	-59.8	-17.2	0	0	0	121.4
397	L	30.9	Very low	27.5	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	76%	0.764	S	S	*	*				-160.2	165.7	115.5	-131.1	70.3	0	0	0	112.9
398	D	28.7	Very low	27.8	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	77%	0.767	S	S	*	*			trans	-94.3	178.1	-168.9	-97.4	-72.9	0	0	0	115.7
399	K	30.9	Very low	28.1	Very low	169 Å²	169	133.7 Å²	133.7	74%	0.735	76%	0.761	S	S	*	*			trans	-55.2	166.5	-179.1	-53.7	166.6	-172.4	167.8	0	114.3
400	P	31.3	Very low	28.6	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	77%	0.767	S	S	*	*				-132.9	163.1	110.2	37.9	-31.4	0	0	0	115.5
401	I	24.5	Very low	28.9	Very low	132 Å²	132	133 Å²	133	68%	0.677	76%	0.764	S	S	*	*			trans	-115.5	133.7	173.7	-61.3	163.9	0	0	0	107.9
402	I	30.8	Very low	29.2	Very low	171 Å²	171	133.6 Å²	133.6	88%	0.877	77%	0.768	S	S	*	*			trans	-140.1	145.5	158.9	-61.9	-173.9	0	0	0	108.9
403	T	22.3	Very low	29.3	Very low	119 Å²	119	131.5 Å²	131.5	73%	0.73	76%	0.763	S	S	*	*			trans	-132.7	136.9	-168.8	-48.5	0	0	0	0	111.8
404	A	28.8	Very low	29.4	Very low	85 Å²	85	133 Å²	133	70%	0.702	77%	0.768	S	S	*	*			trans	-160	125.9	157.8	0	0	0	0	0	107.8
405	T	26.5	Very low	29.7	Very low	119 Å²	119	130.9 Å²	130.9	73%	0.73	76%	0.764	S	S	*	*				65.6	118.4	54.3	67.7	0	0	0	0	113.8
406	T	28.2	Very low	29.8	Very low	122 Å²	122	130.8 Å²	130.8	75%	0.748	77%	0.765	S	S	*	*			cis	-138.7	-144.3	-13.1	38.9	0	0	0	0	107.8
407	D	32.8	Very low	29.8	Very low	124 Å²	124	128.9 Å²	128.9	66%	0.663	76%	0.755	S	S	*	*			cis	-163.3	163.8	6.3	-146.5	-76.7	0	0	0	113.6
408	S	33.1	Very low	29.7	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	75%	0.753	S	S	*	*			trans	63.8	151.3	160.2	-73.4	0	0	0	0	120.9
409	P	34.7	Very low	29.5	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	75%	0.749	S	S	*	*			trans	-132.1	153.9	-147	38.5	-20.6	0	0	0	117.1
410	L	34.7	Very low	29.1	Very low	170 Å²	170	132.6 Å²	132.6	89%	0.89	75%	0.754	S	S	*	*			trans	-147.5	134.6	149.4	-160.5	62.3	0	0	0	113.7
411	T	30.9	Very low	28.7	Very low	120 Å²	120	132.5 Å²	132.5	74%	0.736	75%	0.751	S	S	*	*			trans	-49.6	124.7	-176.5	-47.9	0	0	0	0	116.7
412	T	31.5	Very low	28.7	Very low	133 Å²	133	132.6 Å²	132.6	82%	0.816	75%	0.751	S	S	*	*				-177.2	151.4	126.5	21.1	0	0	0	0	111.9
413	P	29.7	Very low	28.3	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	74%	0.739	S	S	*	*			trans	-90.4	157.8	-175.2	35.5	-35.4	0	0	0	114.7
414	V	28.2	Very low	28.3	Very low	128 Å²	128	131 Å²	131	78%	0.776	74%	0.742	S	S	*	*			trans	-69.4	133.9	176.5	175.9	0	0	0	0	112.1	P416	V414-P416 WeakPolarHBondContact O-CD 3.37Å
415	P	33	Very low	28.2	Very low	99 Å²	99	135.1 Å²	135.1	64%	0.643	75%	0.746	S	S	*	*			trans	-94.9	109.3	165.1	33.2	-28.1	0	0	0	111.5	N417	P415-N417 PolarHBondContact O-N 3.12Å
416	P	27.5	Very low	28.1	Very low	114 Å²	114	135 Å²	135	74%	0.74	75%	0.75	S	S	*	*			trans	-79.1	41.8	178.6	35	-37.4	0	0	0	112.8	V414	V414-P416 WeakPolarHBondContact O-CD 3.37Å
417	N	27.4	Very low	27.9	Very low	109 Å²	109	136.5 Å²	136.5	58%	0.583	75%	0.751	S	S	*	*			trans	-117.5	79.5	-159.8	-74.1	-22.7	0	0	0	114.1	P415	P415-N417 PolarHBondContact O-N 3.12Å
418	K	27.8	Very low	27.5	Very low	205 Å²	205	137.4 Å²	137.4	89%	0.891	76%	0.756	S	S	*	*			trans	-98.1	82.4	149.9	-82.8	-170.6	175.9	-180	0	109.2	Y420	K418-Y420 PolarHBondContact O-N 3.11Å
419	H	24.2	Very low	27.3	Very low	153 Å²	153	137.6 Å²	137.6	71%	0.708	76%	0.758	S	S	*	*			trans	-65.8	100.3	169.6	-85.1	-101.7	0	0	0	110.2
420	Y	23.9	Very low	26.8	Very low	216 Å²	216	139.4 Å²	139.4	85%	0.847	76%	0.761	S	S	*	*			trans	-105.5	119.9	146.8	-90.8	-90.4	0	0	0	107.3	K418 I422	K418-Y420 PolarHBondContact O-N 3.11Å; Y420-I422 PolarHBondContact O-N 2.83Å; Y420-I422 VanDerWaalsContact O-N 3.1Å
421	V	23.2	Very low	26.4	Very low	125 Å²	125	140.9 Å²	140.9	76%	0.758	76%	0.756	S	S	*	*			trans	-73	105.2	-174.1	178.1	0	0	0	0	109.5	S423	V421-S423 PolarHBondContact O-N 3.04Å
422	I	23.3	Very low	26.1	Very low	133 Å²	133	142.8 Å²	142.8	68%	0.682	76%	0.761	S	S	*	*			trans	-75.9	104.2	163.6	-58.1	179	0	0	0	106.7	Y420 Q424	Y420-I422 PolarHBondContact O-N 2.83Å; Y420-I422 VanDerWaalsContact O-N 3.1Å; I422-Q424 VanDerWaalsContact C-N 3.32Å; I422-Q424 PolarHBondContact O-N 3.36Å
423	S	22.1	Very low	25.9	Very low	90 Å²	90	143.9 Å²	143.9	63%	0.629	76%	0.762	S	S	*	*			trans	-75.8	81.6	177.4	-171.2	0	0	0	0	110.9	V421 Q425	V421-S423 PolarHBondContact O-N 3.04Å; S423-Q425 PolarHBondContact O-N 3.35Å; S423-Q425 VanDerWaalsContact O-N 3.13Å
424	Q	23.3	Very low	25.8	Very low	166 Å²	166	142.8 Å²	142.8	78%	0.776	76%	0.757	S	S	*	*			trans	-70	95.2	156.3	-100.3	76	60.1	0	0	108.4	I422	I422-Q424 VanDerWaalsContact C-N 3.32Å; I422-Q424 PolarHBondContact O-N 3.36Å
425	Q	26	Very low	25.7	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	76%	0.759	S	S	*	*			trans	-141.5	66.6	170.8	-156.7	155	16.8	0	0	112	S423	S423-Q425 PolarHBondContact O-N 3.35Å; S423-Q425 VanDerWaalsContact O-N 3.13Å
426	C	23.9	Very low	25.4	Very low	118 Å²	118	146 Å²	146	80%	0.797	77%	0.768	S	S	*	*			trans	-79.9	171.4	154.6	-66.5	0	0	0	0	110
427	I	25.5	Very low	25.4	Very low	152 Å²	152	145.8 Å²	145.8	78%	0.779	77%	0.769	S	S	*	*			trans	97.7	123	172.4	-56.6	166.8	0	0	0	114.7
428	N	24.2	Very low	25.2	Very low	143 Å²	143	148.3 Å²	148.3	77%	0.765	78%	0.779	S	S	*	*			trans	68.5	86.3	168.3	-62.6	-9.2	0	0	0	119
429	S	27.3	Very low	25	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	75%	0.753	S	S	*	*			trans	-151	108	141.9	-79.6	0	0	0	0	109.8	Y431	S429-Y431 PolarHBondContact O-N 3.05Å
430	N	25.6	Very low	25	Very low	155 Å²	155	138.6 Å²	138.6	83%	0.829	74%	0.743	S	S	*	*			trans	-76.8	101.4	-178.1	-72.8	-24.2	0	0	0	111.1
431	Y	26.5	Very low	25	Very low	201 Å²	201	132 Å²	132	79%	0.788	72%	0.722	S	S	*	*			trans	-137.4	117.5	167.2	-75.6	-72.8	0	0	0	112.5	S429 L433	S429-Y431 PolarHBondContact O-N 3.05Å; Y431-L433 PolarHBondContact O-N 3.24Å
432	N	23.6	Very low	25.1	Very low	160 Å²	160	132.7 Å²	132.7	86%	0.856	72%	0.717	S	S	*	*			trans	-65	117.4	167.2	-94.3	-53.9	0	0	0	109.9
433	L	28.4	Very low	25.1	Very low	157 Å²	157	133.1 Å²	133.1	82%	0.822	71%	0.713	S	S	*	*			trans	-130.7	143.1	154.3	-81.9	97.9	0	0	0	109.6	Y431	Y431-L433 PolarHBondContact O-N 3.24Å
434	S	26.6	Very low	25.4	Very low	94 Å²	94	134.8 Å²	134.8	66%	0.657	71%	0.714	S	S	*	*			trans	-81.6	164.1	-175.7	-153.9	0	0	0	0	112.2	E436	S434-E436 PolarHBondContact O-N 3.34Å
435	S	26.2	Very low	25.6	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	71%	0.706	S	S	*	*			trans	-73.5	92.4	-175.5	53.7	0	0	0	0	112.7
436	E	27.6	Very low	25.8	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	71%	0.707	S	S	*	*			trans	-115.9	140	160.4	-69.1	-161.9	136	0	0	110.6	S434 M438	S434-E436 PolarHBondContact O-N 3.34Å; E436-M438 PolarHBondContact O-N 2.86Å
437	S	26.9	Very low	26.3	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	71%	0.707	S	S	*	*			trans	-76.8	84.9	176.7	38.7	0	0	0	0	111.1	V439	S437-V439 PolarHBondContact O-N 2.73Å
438	M	22.6	Very low	26.5	Very low	162 Å²	162	129.6 Å²	129.6	80%	0.798	71%	0.707	S	S	*	*			trans	-61.9	126.5	-179	-168.7	-175.9	-164.6	0	0	112.3	E436 I440	E436-M438 PolarHBondContact O-N 2.86Å; M438-I440 HydrophobicContact CE-CD1 4.27Å; M438-I440 HydrophobicContact CE-CG1 4.2Å; M438-I440 HydrophobicContact CG-CG1 4.34Å; M438-I440 HydrophobicContact SD-CD1 4.43Å; M438-I440 HydrophobicContact SD-CG1 4.47Å
439	V	24.5	Very low	27	Very low	59 Å²	59	130.9 Å²	130.9	36%	0.358	71%	0.709	S	S	.	*			trans	-129.7	136.2	170.4	176.1	0	0	0	0	109.1	F78 S437	F78-V439 HydrophobicContact CB-CG1 3.6Å; F78-V439 VanDerWaalsContact O-CG1 3.25Å; F78-V439 WeakPolarHBondContact O-CG1 3.16Å; S437-V439 PolarHBondContact O-N 2.73Å
440	I	24.2	Very low	27.2	Very low	95 Å²	95	134.4 Å²	134.4	49%	0.487	71%	0.711	S	S	.	*			trans	-110.8	96	-165.8	-54.2	179	0	0	0	109.8	F78 M438	F78-I440 WeakPolarHBondContact CD2-O 3.36Å; M438-I440 HydrophobicContact CE-CD1 4.27Å; M438-I440 HydrophobicContact CE-CG1 4.2Å; M438-I440 HydrophobicContact CG-CG1 4.34Å; M438-I440 HydrophobicContact SD-CD1 4.43Å; M438-I440 HydrophobicContact SD-CG1 4.47Å
441	I	24.4	Very low	27.5	Very low	78 Å²	78	133.3 Å²	133.3	40%	0.4	71%	0.709	S	S	.	*	B	Isolated β-bridge	trans	-80.8	123.9	165.2	-58	165.2	0	0	0	107.9	F78 L79 D83	F78-I441 WeakPolarHBondContact O-CG1 3.4Å; L79-I441 HydrophobicContact CD2-CD1 3.86Å; L79-I441 HydrophobicContact CD2-CG1 4.37Å; D83-I441 HydrophobicContact CB-CD1 4.11Å
442	Q	25.1	Very low	27.7	Very low	140 Å²	140	131.4 Å²	131.4	65%	0.654	71%	0.712	S	S	*	*			trans	-135.6	99.3	170.6	-159.2	167.3	23.5	0	0	112.2
443	K	23	Very low	28.2	Very low	141 Å²	141	128.2 Å²	128.2	61%	0.613	70%	0.7	S	S	*	*			trans	-65.2	131.3	168.4	173.6	-179.5	-173.2	-80.2	0	110	D445	K443-D445 WeakPolarHBondContact CE-OD1 3.37Å; K443-D445 IonicContact NZ-OD1 3.94Å; K443-D445 PolarHBondContact NZ-OD1 2.74Å; K443-D445 IonicContact NZ-OD2 3.99Å; K443-D445 PolarHBondContact NZ-OD2 3.4Å
444	I	28.4	Very low	28.2	Very low	126 Å²	126	127.5 Å²	127.5	65%	0.646	70%	0.697	S	S	*	*			trans	-137.7	116.4	166.2	-57	-178.3	0	0	0	109
445	D	27.3	Very low	28.3	Very low	114 Å²	114	130 Å²	130	61%	0.61	70%	0.702	S	S	*	*			trans	-76.6	138.3	170.9	-43.9	-99.8	0	0	0	109.9	K443	K443-D445 WeakPolarHBondContact CE-OD1 3.37Å; K443-D445 IonicContact NZ-OD1 3.94Å; K443-D445 PolarHBondContact NZ-OD1 2.74Å; K443-D445 IonicContact NZ-OD2 3.99Å; K443-D445 PolarHBondContact NZ-OD2 3.4Å
446	T	30.2	Very low	28.5	Very low	132 Å²	132	129.8 Å²	129.8	81%	0.81	70%	0.695	S	S	*	*			trans	-99.9	143.1	176.1	39.8	0	0	0	0	112.4
447	P	33.9	Very low	28.7	Very low	125 Å²	125	128.8 Å²	128.8	81%	0.812	70%	0.695	S	S	*	*			trans	-121.2	137.5	131.1	34.4	-30.5	0	0	0	112.5
448	T	30.2	Very low	28.9	Very low	127 Å²	127	130.1 Å²	130.1	78%	0.779	69%	0.693	S	S	*	*			trans	-61.8	154	165	-10.7	0	0	0	0	109.4
449	Q	35	Very low	29.1	Very low	171 Å²	171	129 Å²	129	80%	0.799	69%	0.69	S	S	*	*			cis	-151.4	164.6	33	-55.5	-179	42	0	0	114.8
450	K	31.7	Very low	29.4	Very low	183 Å²	183	132.3 Å²	132.3	80%	0.796	72%	0.715	S	S	*	*			trans	-3.9	149	144.1	-58.4	177.4	-179.4	177.5	0	118.1
451	T	31.7	Very low	29.9	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	73%	0.733	S	S	*	*			cis	-161.5	158.4	10	-1.1	0	0	0	0	111.9
452	L	29.5	Very low	30.4	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	75%	0.748	S	S	*	*			trans	-90.9	176.1	160.4	-114.9	81.6	0	0	0	110.1
453	P	35.7	Very low	30.7	Very low	94 Å²	94	136 Å²	136	61%	0.61	76%	0.755	S	S	*	*			cis	-138	-172.3	11.2	43.3	-24.7	0	0	0	117.4
454	D	28	Very low	31.2	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	76%	0.764	S	S	*	*			trans	100	132.7	139.9	-75.5	-16	0	0	0	124.4
455	I	29.3	Very low	31.5	Very low	147 Å²	147	132.9 Å²	132.9	75%	0.754	77%	0.768	S	S	*	*			trans	82.9	97.7	151.7	-67.3	161.4	0	0	0	120.6
456	V	29.5	Very low	31.9	Very low	112 Å²	112	135.3 Å²	135.3	68%	0.679	78%	0.779	S	S	*	*			trans	21.5	126.5	136	-132.8	0	0	0	0	120
457	D	31.2	Very low	32.1	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	78%	0.778	S	S	*	*				-164.1	-173.1	104.3	-112.9	-32.3	0	0	0	114
458	L	30.7	Very low	32.1	Very low	137 Å²	137	133.4 Å²	133.4	72%	0.717	77%	0.772	S	S	*	*			trans	-101.2	-178.7	-145.9	-120.8	69.3	0	0	0	118.6
459	D	28.5	Very low	32.3	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	77%	0.774	S	S	*	*			trans	75.2	97.2	157.7	-61.7	-26.1	0	0	0	122.2
460	C	29.8	Very low	32	Very low	130 Å²	130	132.9 Å²	132.9	88%	0.878	77%	0.774	S	S	*	*				-170.8	144.6	101.3	-99.5	0	0	0	0	114.8
461	L	34.2	Very low	32	Very low	166 Å²	166	131.9 Å²	131.9	87%	0.869	78%	0.776	S	S	*	*			trans	-119.5	-169.3	175.5	-73.6	170.1	0	0	0	108.7
462	P	36	Very low	31.6	Very low	108 Å²	108	131.1 Å²	131.1	70%	0.701	78%	0.775	S	S	*	*			cis	-134	-172	-11.7	20.7	5.4	0	0	0	115
463	S	31.6	Very low	31.6	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	78%	0.777	S	S	*	*			trans	82.6	140.8	152.2	81.3	0	0	0	0	117.8
464	A	33.7	Very low	31	Very low	96 Å²	96	134.5 Å²	134.5	79%	0.793	78%	0.784	S	S	*	*			cis	-145.8	180	-1.1	0	0	0	0	0	109.5
465	S	33.7	Very low	31.1	Very low	104 Å²	104	136 Å²	136	73%	0.727	79%	0.79	S	S	*	*			cis	-155.9	153.8	4.3	55	0	0	0	0	109.3
466	I	35.1	Very low	30.8	Very low	165 Å²	165	134.3 Å²	134.3	85%	0.846	79%	0.787	S	S	*	*			trans	-131.6	118.3	-171.1	-52.3	175.6	0	0	0	113.5
467	P	35.3	Very low	30.7	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	80%	0.795	S	S	*	*			trans	-119.8	147.9	160.7	37	-25.9	0	0	0	113
468	S	33.6	Very low	30.6	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	79%	0.793	S	S	*	*			trans	-166.7	153.5	178.5	56.4	0	0	0	0	113.5
469	T	34.1	Very low	30.4	Very low	135 Å²	135	138.1 Å²	138.1	83%	0.828	80%	0.803	S	S	*	*			trans	-147.5	114.7	166	50.3	0	0	0	0	109
470	L	29.9	Very low	30.6	Very low	151 Å²	151	136.6 Å²	136.6	79%	0.791	80%	0.803	S	S	*	*				69.9	103.5	58.8	-67.3	175.1	0	0	0	115.3
471	L	31.9	Very low	30.5	Very low	162 Å²	162	139 Å²	139	85%	0.848	80%	0.802	S	S	*	*				-161.7	136.7	112	-139.8	73.3	0	0	0	112
472	C	23	Very low	30.1	Very low	116 Å²	116	137.5 Å²	137.5	78%	0.784	80%	0.799	S	S	*	*			trans	-106.3	152	169.5	-67.8	0	0	0	0	110.5
473	K	29.2	Very low	29.6	Very low	205 Å²	205	136.7 Å²	136.7	89%	0.891	80%	0.796	S	S	*	*			trans	-134.2	121.8	155.4	-83.1	-169.3	175.1	179.2	0	110.7
474	T	23.7	Very low	29.3	Very low	121 Å²	121	136.3 Å²	136.3	74%	0.742	79%	0.792	S	S	*	*			trans	-92	134.4	177.4	-52.6	0	0	0	0	109.9	T476	T474-T476 HydrophobicContact CG2-CG2 4.44Å
475	I	28.8	Very low	29.1	Very low	171 Å²	171	138.9 Å²	138.9	88%	0.877	79%	0.79	S	S	*	*			trans	-132.2	121	156.1	-61.9	-176.4	0	0	0	108.5
476	T	23	Very low	28.9	Very low	113 Å²	113	140.1 Å²	140.1	69%	0.693	79%	0.788	S	S	*	*			trans	-88.1	155.1	170.4	49.1	0	0	0	0	110.9	T474	T474-T476 HydrophobicContact CG2-CG2 4.44Å
477	V	28.3	Very low	28.7	Very low	142 Å²	142	140.4 Å²	140.4	86%	0.861	79%	0.786	S	S	*	*			trans	-160.8	160.6	136.3	131.2	0	0	0	0	110.3
478	T	29.8	Very low	28.5	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	78%	0.778	S	S	*	*			trans	-82.6	163.5	-163.6	46.5	0	0	0	0	115.6
479	K	25.8	Very low	28.3	Very low	214 Å²	214	140.8 Å²	140.8	93%	0.93	78%	0.784	S	S	*	*			trans	-112.8	124	173.1	-169.3	178.6	-172.9	179.3	0	109.7
480	S	31.9	Very low	28.3	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	78%	0.779	S	S	*	*			trans	-140.8	103.5	178.8	56.2	0	0	0	0	112.3
481	E	28.6	Very low	28.6	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	77%	0.772	S	S	*	*			trans	28.8	122.7	141.5	-56.9	-168.5	142.9	0	0	122.7
482	V	26.1	Very low	28.5	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	77%	0.766	S	S	*	*				70.9	137.4	119.4	177.4	0	0	0	0	121.4
483	S	25.5	Very low	28.8	Very low	92 Å²	92	138.4 Å²	138.4	64%	0.643	76%	0.762	S	S	*	*			trans	79.7	92.2	153.7	-177.7	0	0	0	0	121.1
484	C	24.2	Very low	28.9	Very low	108 Å²	108	134.1 Å²	134.1	73%	0.73	75%	0.753	S	S	*	*				63.1	148.5	117.3	-57.5	0	0	0	0	123.7
485	M	29.3	Very low	29.5	Very low	151 Å²	151	133.9 Å²	133.9	74%	0.744	75%	0.751	S	S	*	*			trans	73.5	107.3	160.8	-89.7	91.8	76.8	0	0	121.3
486	N	29.6	Very low	29.6	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	75%	0.746	S	S	*	*				81.2	136.4	119.3	-66.1	4.1	0	0	0	122.8
487	H	31.7	Very low	29.9	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.796	75%	0.746	S	S	*	*			trans	55.4	110.4	161.5	-56.9	-58	0	0	0	117.6
488	A	30.9	Very low	30.1	Very low	76 Å²	76	131.6 Å²	131.6	63%	0.628	74%	0.741	S	S	*	*			cis	94.4	135.1	47.2	0	0	0	0	0	114
489	N	30.3	Very low	30.4	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	74%	0.74	S	S	*	*			trans	68.7	142.3	172	-50.8	-16.8	0	0	0	114.2
490	H	33.2	Very low	31	Very low	158 Å²	158	125.9 Å²	125.9	73%	0.731	73%	0.728	S	S	*	*			cis	-174.9	143	30.9	-146.9	-142.2	0	0	0	111.7
491	L	35.3	Very low	31.3	Very low	121 Å²	121	124.9 Å²	124.9	63%	0.634	72%	0.721	S	S	*	*			trans	53.5	119.6	148.3	-60.4	-177	0	0	0	125
492	N	29.9	Very low	31.7	Very low	134 Å²	134	123.4 Å²	123.4	72%	0.717	72%	0.719	S	S	*	*				67.9	108.7	117	-63.1	14.6	0	0	0	125.1
493	S	30.9	Very low	32.4	Very low	101 Å²	101	121.6 Å²	121.6	71%	0.706	71%	0.712	S	S	*	*				90.8	154.9	104.3	81.6	0	0	0	0	124.9
494	T	31.3	Very low	33.2	Very low	114 Å²	114	124 Å²	124	70%	0.699	72%	0.718	S	S	*	*			trans	111.7	139.4	135.6	-2.2	0	0	0	0	121.1
495	T	34.9	Very low	34.2	Very low	116 Å²	116	125.4 Å²	125.4	71%	0.712	72%	0.718	S	S	*	*			trans	68.2	126	162.5	46.6	0	0	0	0	118.7
496	N	31.3	Very low	34.8	Very low	141 Å²	141	124 Å²	124	75%	0.754	71%	0.714	S	S	*	*				81.4	142.2	56.1	-64.7	4	0	0	0	112.2
497	T	30.4	Very low	35.3	Very low	113 Å²	113	124.4 Å²	124.4	69%	0.693	72%	0.716	S	S	*	*			cis	-165.7	167.9	13.1	-4.5	0	0	0	0	112.1
498	T	32.5	Very low	35.8	Very low	125 Å²	125	122 Å²	122	77%	0.767	71%	0.709	S	S	*	*			trans	66.2	159.7	155.8	49.6	0	0	0	0	117.9
499	T	35.5	Very low	36.5	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	71%	0.707	S	S	*	*			cis	-169.5	169.7	-4.5	18.4	0	0	0	0	108.2
500	S	37.2	Very low	36.9	Very low	97 Å²	97	122.4 Å²	122.4	68%	0.678	71%	0.707	S	S	*	*			cis	-168.8	176.2	-6.5	51.9	0	0	0	0	111.7
501	S	39	Very low	37.1	Very low	86 Å²	86	124.3 Å²	124.3	60%	0.601	71%	0.713	S	S	*	*			trans	65.5	113.1	142.3	59.2	0	0	0	0	123.2
502	N	37.7	Very low	36.9	Very low	149 Å²	149	125.8 Å²	125.8	80%	0.797	72%	0.722	S	S	*	*			trans	70.8	147.3	136.8	-54.1	16.8	0	0	0	117.4
503	S	41	Very low	37.2	Very low	97 Å²	97	124.6 Å²	124.6	68%	0.678	72%	0.719	S	S	*	*			cis	-175	159.5	-1.1	39.7	0	0	0	0	109.3
504	D	42.4	Very low	37.2	Very low	142 Å²	142	125 Å²	125	76%	0.759	72%	0.717	S	S	*	*			cis	-170.9	-165.1	-18.9	-86.4	-34.9	0	0	0	108
505	D	43.7	Very low	37.1	Very low	138 Å²	138	127.1 Å²	127.1	74%	0.738	72%	0.719	S	S	*	*			trans	72.3	94.9	164.2	-78.3	-6.9	0	0	0	123.3
506	N	41.8	Very low	36.9	Very low	122 Å²	122	128.2 Å²	128.2	65%	0.652	72%	0.721	S	S	*	*				75.5	107.1	120.5	-56.4	-37.1	0	0	0	123.9
507	N	40.9	Very low	36.8	Very low	136 Å²	136	126 Å²	126	73%	0.727	72%	0.716	S	S	*	*				65.2	147.7	121.5	-67.7	33.5	0	0	0	121.6
508	D	43	Very low	36.7	Very low	122 Å²	122	125.6 Å²	125.6	65%	0.652	72%	0.717	S	S	*	*			cis	-148.3	161.4	5.3	-137.5	-50	0	0	0	114.7
509	S	44.4	Very low	36.6	Very low	83 Å²	83	127.2 Å²	127.2	58%	0.58	72%	0.721	S	S	*	*			trans	27.2	112	158.7	14.2	0	0	0	0	120.4
510	N	38.2	Very low	36.5	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	73%	0.728	S	S	*	*				77.3	135.9	76.5	-81.1	-47	0	0	0	115
511	K	39.1	Very low	36.5	Very low	198 Å²	198	133.8 Å²	133.8	86%	0.861	74%	0.737	S	S	*	*			cis	-129.2	151.9	8.5	-63	-178.3	-179.2	179.9	0	111.1
512	N	30.7	Very low	36.1	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	75%	0.748	S	S	*	*			trans	-155.1	162.4	-174	-153	4.2	0	0	0	110.6
513	V	35.9	Very low	36.2	Very low	109 Å²	109	138 Å²	138	66%	0.661	75%	0.75	S	S	*	*			trans	63.9	119.5	157.4	167.2	0	0	0	0	116.7
514	T	29.6	Very low	36.1	Very low	110 Å²	110	142.4 Å²	142.4	68%	0.675	76%	0.756	S	S	*	*				67.3	133.6	63.4	-24.6	0	0	0	0	116
515	Q	30.4	Very low	35.6	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	76%	0.763	S	S	*	*			trans	74.2	139.5	146.4	-101.9	175	-15.2	0	0	122.2
516	N	29.6	Very low	35.2	Very low	139 Å²	139	146.8 Å²	146.8	74%	0.743	77%	0.768	S	S	*	*			trans	70.4	159.8	154.1	-52.3	-20.2	0	0	0	118.2
517	S	30.3	Very low	34.9	Very low	94 Å²	94	148.4 Å²	148.4	66%	0.657	78%	0.777	S	S	*	*			cis	177.1	129.5	-35.5	-178.4	0	0	0	0	105.9
518	C	28.1	Very low	34.3	Very low	106 Å²	106	147.3 Å²	147.3	72%	0.716	78%	0.78	S	S	*	*			trans	53.9	115.7	169	-56.8	0	0	0	0	117.3
519	D	29.5	Very low	33.7	Very low	159 Å²	159	150.4 Å²	150.4	85%	0.85	79%	0.79	S	S	*	*				-179.1	-177.6	99.5	-93.7	-22.5	0	0	0	112.2
520	E	35	Very low	33	Very low	194 Å²	194	155.6 Å²	155.6	91%	0.907	81%	0.805	S	S	*	*			trans	74.1	106.2	174.2	-57.3	-155.5	97	0	0	118.5
521	L	36.3	Very low	32.9	Very low	164 Å²	164	155 Å²	155	86%	0.859	80%	0.797	S	S	*	*			trans	-88.4	-178.9	169.1	-72	165.6	0	0	0	111.5
522	N	30.6	Very low	32.4	Very low	157 Å²	157	154.7 Å²	154.7	84%	0.84	80%	0.799	S	S	*	*			trans	72.8	109.4	168.8	-72.3	-16.9	0	0	0	118
523	M	40	Very low	32.3	Very low	168 Å²	168	155.8 Å²	155.8	83%	0.828	80%	0.799	S	S	*	*				-157.8	134.1	112.3	-93.8	-104.3	177.2	0	0	111.2
524	K	39	Very low	32.4	Very low	189 Å²	189	158.6 Å²	158.6	82%	0.822	80%	0.803	S	S	*	*			trans	75	69.7	158.5	-62.2	170.3	-176.3	175.1	0	118.3
525	E	31.5	Very low	32.4	Very low	194 Å²	194	161.6 Å²	161.6	91%	0.907	81%	0.809	S	S	*	*			trans	-70.5	128	141.1	170.1	-178.7	-140.8	0	0	110
526	E	36.1	Very low	32.2	Very low	178 Å²	178	159 Å²	159	83%	0.832	81%	0.808	S	S	*	*			trans	-169.3	159.3	157.5	-120	172.4	-170.3	0	0	111.5
527	N	35.6	Very low	32.1	Very low	156 Å²	156	161.6 Å²	161.6	83%	0.834	82%	0.816	S	S	*	*			trans	65.3	58.4	175.3	-60.8	-42.6	0	0	0	118.2
528	S	27.6	Very low	32.3	Very low	113 Å²	113	163.1 Å²	163.1	79%	0.79	83%	0.827	S	S	*	*			trans	-87.8	172.6	134.8	-77.1	0	0	0	0	110.3
529	Q	29.7	Very low	32.6	Very low	186 Å²	186	166.7 Å²	166.7	87%	0.869	83%	0.833	S	S	*	*			trans	81.7	69.7	177.4	-48.9	179.7	31.8	0	0	117.2
530	Q	31.2	Very low	32.5	Very low	192 Å²	192	164.1 Å²	164.1	90%	0.897	83%	0.827	S	S	*	*			trans	-155.3	151.8	145.1	-122.2	151.9	94.9	0	0	113.1
531	E	34.2	Very low	32.5	Very low	139 Å²	139	165.1 Å²	165.1	65%	0.65	82%	0.823	S	S	*	*			trans	65.6	35.1	170.7	-54.2	-145.9	115.6	0	0	120.3	Q533 K534	E531-Q533 PolarHBondContact O-N 2.64Å; E531-K534 WeakPolarHBondContact OE1-CD 3.45Å; E531-K534 IonicContact OE1-NZ 2.63Å; E531-K534 PolarHBondContact OE1-NZ 2.79Å
532	E	28.8	Very low	32.5	Very low	193 Å²	193	164.1 Å²	164.1	90%	0.902	81%	0.814	S	S	*	*	S	Bend	trans	-86.4	46.6	147.8	-159.1	180	-163.8	0	0	111.3
533	Q	28.6	Very low	32.8	Very low	174 Å²	174	165 Å²	165	81%	0.813	81%	0.81	S	S	*	*			trans	-164.7	81.2	177.4	-124.2	166.4	83.7	0	0	113.9	E531	E531-Q533 PolarHBondContact O-N 2.64Å
534	K	37.7	Very low	32.4	Very low	167 Å²	167	168.3 Å²	168.3	73%	0.726	81%	0.813	S	S	*	*			trans	-165.8	77.4	162.3	-101.3	155.6	-163.5	169.3	0	108.6	E531	E531-K534 WeakPolarHBondContact OE1-CD 3.45Å; E531-K534 IonicContact OE1-NZ 2.63Å; E531-K534 PolarHBondContact OE1-NZ 2.79Å
535	Q	29.8	Very low	32.3	Very low	173 Å²	173	166.8 Å²	166.8	81%	0.808	81%	0.811	S	S	*	*				67.2	74.1	70.9	-157.9	174	53.3	0	0	113.8
536	S	26	Very low	32.5	Very low	104 Å²	104	163 Å²	163	73%	0.727	80%	0.803	S	S	*	*			trans	37.3	88.9	137.5	61.8	0	0	0	0	119.5
537	Q	28.8	Very low	32.4	Very low	194 Å²	194	158.3 Å²	158.3	91%	0.907	80%	0.795	S	S	*	*			trans	-172.5	118.7	145.1	-110.8	170.4	35.5	0	0	113.3
538	S	35.2	Very low	32.2	Very low	125 Å²	125	157.4 Å²	157.4	87%	0.874	79%	0.789	S	S	*	*			trans	177.3	73	148.8	31.9	0	0	0	0	111.3
539	Q	32.5	Very low	32.4	Very low	181 Å²	181	159.7 Å²	159.7	85%	0.846	79%	0.785	S	S	*	*			trans	-72	162.8	166.4	-69.5	-178.1	-8.7	0	0	111.4
540	S	29.4	Very low	32.6	Very low	106 Å²	106	158.7 Å²	158.7	74%	0.741	78%	0.78	S	S	*	*			trans	70	118.2	159.1	-62.5	0	0	0	0	118.5
541	R	34.8	Very low	32.4	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	77%	0.77	S	S	*	*				-168.1	118.1	101.5	-100.7	166.8	-179	-151.3	-0.1	113.3
542	Q	36.5	Very low	32.2	Very low	142 Å²	142	157.8 Å²	157.8	66%	0.664	78%	0.777	S	S	*	*			trans	64.7	148	134.1	-62.7	178.2	21.7	0	0	117.8
543	K	35.2	Very low	32.5	Very low	177 Å²	177	156.3 Å²	156.3	77%	0.77	77%	0.774	S	S	*	*			cis	-160.2	159.4	5.1	-101.5	145.7	179.6	155	0	105.8
544	R	31.6	Very low	32.7	Very low	236 Å²	236	153.7 Å²	153.7	89%	0.891	77%	0.772	S	S	*	*			cis	-164.5	148.6	-15.9	-167.9	-154.2	-179.4	173.6	1.2	107.4
545	M	38.1	Very low	32.4	Very low	158 Å²	158	150.7 Å²	150.7	78%	0.778	77%	0.772	S	S	*	*			trans	-86.7	171.1	168.4	-127	-171.5	-168.9	0	0	111.2
546	P	36	Very low	32.4	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	77%	0.773	S	S	*	*				-149.8	169.2	58.2	43	-23.3	0	0	0	118.1
547	A	33.1	Very low	32.5	Very low	80 Å²	80	149.8 Å²	149.8	66%	0.661	78%	0.778	S	S	*	*			trans	-91.9	172.9	155.7	0	0	0	0	0	110.6
548	L	32.3	Very low	32.5	Very low	136 Å²	136	145.7 Å²	145.7	71%	0.712	77%	0.771	S	S	*	*			trans	-175.8	123.1	154.2	-100.1	158.6	0	0	0	112.5
549	K	30.5	Very low	32.5	Very low	162 Å²	162	145.2 Å²	145.2	70%	0.704	77%	0.768	S	S	*	*			trans	38.3	135.1	146.3	-57.2	166.4	-169.5	161.9	0	119.3
550	H	34.9	Very low	32.3	Very low	165 Å²	165	142.3 Å²	142.3	76%	0.764	76%	0.763	S	S	*	*				-163.9	154.3	73.2	-103	-88.6	0	0	0	115.3
551	L	27.5	Very low	32.5	Very low	132 Å²	132	144.2 Å²	144.2	69%	0.691	77%	0.77	S	S	*	*			trans	-35.8	156.2	168.6	-66.8	56.9	0	0	0	114.1
552	K	29.9	Very low	32.3	Very low	179 Å²	179	139.9 Å²	139.9	78%	0.778	76%	0.762	S	S	*	*				-174.8	140.8	55	-171.1	84.8	171.6	-174.3	0	111.3
553	L	34.5	Very low	32.2	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	78%	0.775	S	S	*	*			trans	-100.3	153.4	162.9	-86.9	163.9	0	0	0	110.9
554	P	32	Very low	32	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	78%	0.775	S	S	*	*			trans	-127.8	160.7	135.2	37.3	-28.6	0	0	0	112.6
555	S	32.3	Very low	32.1	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	78%	0.776	S	S	*	*			trans	-116.3	-164.6	178.3	58.9	0	0	0	0	111.2
556	T	29	Very low	31.9	Very low	134 Å²	134	137 Å²	137	82%	0.822	77%	0.769	S	S	*	*			trans	76.5	155.4	-175.2	80	0	0	0	0	114.2
557	C	28.6	Very low	31.8	Very low	124 Å²	124	138.9 Å²	138.9	84%	0.838	77%	0.771	S	S	*	*			cis	-145.1	172.6	8.7	-152.8	0	0	0	0	112.9
558	S	28.4	Very low	32	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	77%	0.773	S	S	*	*			trans	-102	152.5	-172	-51.5	0	0	0	0	114.7
559	S	34.9	Very low	31.9	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	77%	0.774	S	S	*	*			trans	-166.9	133.6	143.7	30.8	0	0	0	0	108.3
560	T	29.5	Very low	32	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	78%	0.779	S	S	*	*			cis	83	99.8	43.4	-52.4	0	0	0	0	114
561	V	32.9	Very low	31.6	Very low	146 Å²	146	137.9 Å²	137.9	89%	0.885	78%	0.779	S	S	*	*			trans	-149.6	139	142.8	170.7	0	0	0	0	108.8
562	L	31.5	Very low	31.8	Very low	123 Å²	123	140.6 Å²	140.6	64%	0.644	79%	0.786	S	S	*	*			trans	-102.5	164.2	172.4	-68.7	112.4	0	0	0	112.2
563	R	33.1	Very low	31.7	Very low	252 Å²	252	138.9 Å²	138.9	95%	0.951	79%	0.785	S	S	*	*				-159.8	153	124.3	-106.5	157.5	-166.5	-90.7	-1.6	112.4
564	Q	30.9	Very low	31.5	Very low	164 Å²	164	136.8 Å²	136.8	77%	0.766	78%	0.784	S	S	*	*			trans	-122.6	153.4	-171.6	-63	159.1	-74	0	0	111.2
565	T	35	Very low	31.5	Very low	150 Å²	150	137.4 Å²	137.4	92%	0.92	79%	0.786	S	S	*	*			trans	-149.8	149.9	158.7	-43.2	0	0	0	0	107.6
566	S	33.8	Very low	31.6	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	79%	0.789	S	S	*	*			trans	-170.7	173.3	-149.7	55	0	0	0	0	114.2
567	I	33.9	Very low	31.8	Very low	152 Å²	152	140.8 Å²	140.8	78%	0.779	79%	0.791	S	S	*	*			trans	77.2	140.1	152.5	-76.7	161.7	0	0	0	116.3
568	P	37.1	Very low	31.8	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	79%	0.785	S	S	*	*			cis	-143.8	-177.5	-22.5	41	-21.2	0	0	0	117.2
569	N	29.9	Very low	32.1	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	79%	0.79	S	S	*	*			trans	-36.2	158.8	165.3	-45.2	-16.1	0	0	0	119.1	Y571	N569-Y571 HydrophobicContact CB-CE2 4.5Å
570	G	32.6	Very low	31.9	Very low	79 Å²	79	144.3 Å²	144.3	81%	0.814	79%	0.786	S	S	*	*			trans	-150.8	139.8	157.1	0	0	0	0	0	111.8
571	Y	27.2	Very low	32.1	Very low	196 Å²	196	145.7 Å²	145.7	77%	0.769	78%	0.784	S	S	*	*			trans	-114.4	150.2	-174.5	-64.8	-111.2	0	0	0	111.4	N569	N569-Y571 HydrophobicContact CB-CE2 4.5Å
572	F	31.6	Very low	32.2	Very low	189 Å²	189	146.6 Å²	146.6	83%	0.829	78%	0.783	S	S	*	*				176.9	169.8	105.9	-118.9	-92.3	0	0	0	113.8
573	L	27.5	Very low	32.4	Very low	143 Å²	143	144.5 Å²	144.5	75%	0.749	79%	0.791	S	S	*	*			trans	-92.6	154.6	176	-49.8	82.7	0	0	0	111.6
574	S	30.2	Very low	32.2	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	79%	0.789	S	S	*	*				176.9	161.6	118.9	41.3	0	0	0	0	114.5
575	T	30.8	Very low	32.6	Very low	132 Å²	132	143.6 Å²	143.6	81%	0.81	79%	0.792	S	S	*	*			trans	-41.7	157.8	-176.7	43.7	0	0	0	0	120.2
576	P	34.5	Very low	32.7	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	79%	0.787	S	S	*	*			trans	-90.3	151.6	172.7	37.3	-33.9	0	0	0	113.5
577	E	33.2	Very low	32.6	Very low	186 Å²	186	142.4 Å²	142.4	87%	0.869	79%	0.787	S	S	*	*			trans	-157.3	165.4	156.6	-121.9	-172.3	173.4	0	0	113.7
578	V	29.6	Very low	32.9	Very low	115 Å²	115	144.1 Å²	144.1	70%	0.697	79%	0.791	S	S	*	*			trans	-21.8	144.1	-179.5	-146	0	0	0	0	119.9
579	I	33.7	Very low	32.7	Very low	172 Å²	172	149.1 Å²	149.1	88%	0.882	80%	0.796	S	S	*	*				-157.9	154.1	124.5	-102.6	155.3	0	0	0	110
580	N	32	Very low	33.1	Very low	134 Å²	134	147.1 Å²	147.1	72%	0.717	79%	0.793	S	S	*	*			trans	-129.6	179.4	-168.5	-164.9	21.9	0	0	0	111.2
581	E	33.3	Very low	33.4	Very low	150 Å²	150	149.7 Å²	149.7	70%	0.701	79%	0.788	S	S	*	*			trans	79.6	160.4	161.7	-79.6	-64.1	163.1	0	0	121.5
582	L	35.5	Very low	34	Very low	165 Å²	165	146 Å²	146	86%	0.864	78%	0.782	S	S	*	*			trans	74.7	130.8	175.3	-47.5	-177.7	0	0	0	116.7
583	G	34.7	Very low	34.4	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	77%	0.773	S	S	*	*			cis	-162.7	176.9	1.2	0	0	0	0	0	113.7
584	R	29.4	Very low	35.1	Very low	240 Å²	240	142 Å²	142	91%	0.906	77%	0.77	S	S	*	*			trans	-139.4	122.8	-160.5	169.1	-173.5	177	174.7	0.8	111.6
585	L	39	Very low	35.6	Very low	158 Å²	158	143 Å²	143	83%	0.827	77%	0.766	S	S	*	*			trans	-146.7	123.3	169.3	-71.5	177	0	0	0	111.8
586	D	36.7	Very low	35.9	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	77%	0.768	S	S	*	*				21.1	150.4	127.3	-45	-42.4	0	0	0	121
587	G	32.8	Very low	36.1	Very low	60 Å²	60	142.1 Å²	142.1	62%	0.619	77%	0.767	S	S	*	*			cis	161.4	166.9	-1.1	0	0	0	0	0	113
588	H	38.8	Very low	36.1	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.875	77%	0.767	S	S	*	*			trans	68.4	164.1	175.5	-57.1	-66.7	0	0	0	118.9
589	R	32.8	Very low	36.6	Very low	213 Å²	213	140.6 Å²	140.6	80%	0.804	77%	0.77	S	S	*	*			cis	-173.4	152	-42.2	-164	-171.3	175.2	177.3	-0.2	109.3
590	S	38.9	Very low	36.9	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	77%	0.765	S	S	*	*			trans	73.4	162.1	156.9	-68.4	0	0	0	0	119.3
591	N	38.4	Very low	37.3	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	77%	0.767	S	S	*	*			cis	-172.9	171.3	-41.2	-153	12.2	0	0	0	109.2
592	N	40.1	Very low	37.5	Very low	119 Å²	119	136.6 Å²	136.6	64%	0.636	78%	0.776	S	S	*	*			trans	68.9	152.6	158	-69.9	1.8	0	0	0	118.5
593	N	41	Very low	37.5	Very low	119 Å²	119	134 Å²	134	64%	0.636	77%	0.772	S	S	*	*			cis	-173	164.3	-25.3	-109.4	-1.3	0	0	0	110.7
594	N	42.1	Very low	37.9	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	76%	0.763	S	S	*	*			trans	67.4	148.4	152	-65	5.9	0	0	0	118.1
595	N	41.3	Very low	38.3	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	76%	0.757	S	S	*	*			cis	-158.3	167.2	2.9	-111.9	-5.1	0	0	0	112
596	N	36.4	Very low	38.3	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	75%	0.748	S	S	*	*			trans	-80.1	164.2	-175.9	-57.8	-27	0	0	0	115.8
597	G	39.2	Very low	38.2	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	75%	0.749	S	S	*	*			trans	-164.4	132.8	161.2	0	0	0	0	0	112.7
598	N	33.3	Very low	38.3	Very low	161 Å²	161	134.6 Å²	134.6	86%	0.861	76%	0.758	S	S	*	*			trans	-121.3	135.9	-170.6	-68.8	-11.9	0	0	0	113.4
599	S	39.7	Very low	38.2	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	75%	0.746	S	S	*	*			trans	-178.3	111.6	152	51	0	0	0	0	108.4
600	S	39	Very low	38.3	Very low	111 Å²	111	127 Å²	127	78%	0.776	75%	0.745	S	S	*	*				91.5	114.1	56.2	69.8	0	0	0	0	114
601	A	40.3	Very low	37.9	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	76%	0.755	S	S	*	*			trans	57.4	110.5	164.1	0	0	0	0	0	119.1
602	D	37.3	Very low	37.8	Very low	169 Å²	169	133.8 Å²	133.8	90%	0.904	75%	0.751	S	S	*	*				-164.9	171.5	95	-100.9	-19.8	0	0	0	112
603	S	37.3	Very low	37.6	Very low	110 Å²	110	134 Å²	134	77%	0.769	76%	0.757	S	S	*	*			trans	-160.8	161.2	-172.2	-164.7	0	0	0	0	108.5
604	P	41.7	Very low	37.3	Very low	95 Å²	95	138.4 Å²	138.4	62%	0.617	77%	0.771	S	S	*	*			cis	-124.6	175.4	3	38.1	-21.3	0	0	0	114.1
605	D	37.3	Very low	36.9	Very low	144 Å²	144	136.2 Å²	136.2	77%	0.77	77%	0.765	S	S	*	*				167.4	145.6	112.1	-95.7	-27.4	0	0	0	114.9
606	T	39.4	Very low	36.6	Very low	107 Å²	107	135 Å²	135	66%	0.656	77%	0.765	S	S	*	*			trans	41.5	98.5	153.5	-47.1	0	0	0	0	119.5
607	H	34.8	Very low	36.4	Very low	180 Å²	180	131.8 Å²	131.8	83%	0.833	76%	0.761	S	S	*	*				-170.2	123.2	109.5	-103.9	-71.9	0	0	0	111.7
608	H	34.9	Very low	36.3	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.806	75%	0.753	S	S	*	*			trans	-74.9	142.8	179.1	-99.5	-103.6	0	0	0	112.8	L610	H608-L610 PolarHBondContact O-N 2.87Å
609	P	37.8	Very low	36.6	Very low	95 Å²	95	133.1 Å²	133.1	62%	0.617	75%	0.749	S	S	*	*			trans	-74.8	116.5	165.7	31	-32.2	0	0	0	110.1	W611	P609-W611 VanDerWaalsContact C-N 3.32Å; P609-W611 PolarHBondContact O-N 3.05Å
610	L	35.1	Very low	36.5	Very low	148 Å²	148	136.5 Å²	136.5	78%	0.775	75%	0.75	S	S	*	*			trans	-73.8	78.3	-178.5	-73.3	170.2	0	0	0	112.7	H608 H612	H608-L610 PolarHBondContact O-N 2.87Å; L610-H612 VanDerWaalsContact C-N 3.34Å; L610-H612 PolarHBondContact O-N 3.33Å; L610-H612 VanDerWaalsContact O-N 3.09Å
611	W	30.2	Very low	36.1	Very low	237 Å²	237	142.1 Å²	142.1	90%	0.898	76%	0.756	S	S	*	*			trans	-75.1	83	162.9	-80	73.9	0	0	0	110.4	P609	P609-W611 VanDerWaalsContact C-N 3.32Å; P609-W611 PolarHBondContact O-N 3.05Å
612	H	36.6	Very low	36	Very low	135 Å²	135	147.7 Å²	147.7	63%	0.625	76%	0.757	S	S	*	*			trans	-116.1	97.7	173.3	-82	-78.6	0	0	0	112.9	L610 F614	L610-H612 VanDerWaalsContact C-N 3.34Å; L610-H612 PolarHBondContact O-N 3.33Å; L610-H612 VanDerWaalsContact O-N 3.09Å; H612-F614 PolarHBondContact O-N 3.42Å
613	T	35.3	Very low	36	Very low	122 Å²	122	148.6 Å²	148.6	75%	0.748	76%	0.761	S	S	*	*			trans	27.6	86.8	133.9	52	0	0	0	0	117	S615	T613-S615 VanDerWaalsContact C-N 3.34Å; T613-S615 PolarHBondContact O-N 3.24Å
614	F	34.4	Very low	35.6	Very low	213 Å²	213	146.8 Å²	146.8	93%	0.934	76%	0.759	S	S	*	*			trans	-72.8	88	162.7	-86.8	-83.4	0	0	0	110.7	H612	H612-F614 PolarHBondContact O-N 3.42Å
615	S	33.5	Very low	35.5	Very low	83 Å²	83	150 Å²	150	58%	0.58	77%	0.77	S	S	*	*			trans	-65.4	138.8	165.8	179	0	0	0	0	110.2	T613 A617	T613-S615 VanDerWaalsContact C-N 3.34Å; T613-S615 PolarHBondContact O-N 3.24Å; S615-A617 PolarHBondContact O-N 2.93Å
616	P	34.3	Very low	35.4	Very low	114 Å²	114	150.7 Å²	150.7	74%	0.74	77%	0.769	S	S	*	*	S	Bend	trans	-63.3	-0.8	-174.6	-25.5	35.5	0	0	0	117.1	N618	P616-N618 VanDerWaalsContact C-N 3.26Å; P616-N618 PolarHBondContact O-N 3.25Å; P616-N618 VanDerWaalsContact O-N 3.09Å
617	A	33.3	Very low	35.1	Very low	93 Å²	93	153.3 Å²	153.3	77%	0.769	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	9.3	-166.9	0	0	0	0	0	116.5	S615	S615-A617 PolarHBondContact O-N 2.93Å
618	N	36.6	Very low	35.2	Very low	114 Å²	114	151.9 Å²	151.9	61%	0.61	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.9	26.2	-163.6	-139.2	-21	0	0	0	115.8	P616	P616-N618 VanDerWaalsContact C-N 3.26Å; P616-N618 PolarHBondContact O-N 3.25Å; P616-N618 VanDerWaalsContact O-N 3.09Å
619	I	39.8	Very low	35.1	Very low	150 Å²	150	150.9 Å²	150.9	77%	0.769	78%	0.777	S	S	*	*	S	Bend	trans	-101.3	-1.6	-177.9	-74.1	175.7	0	0	0	113.8
620	F	37	Very low	34.9	Very low	180 Å²	180	151.6 Å²	151.6	79%	0.789	78%	0.784	S	S	*	*	S	Bend	trans	-114.2	133.8	165.2	-80.6	-92.9	0	0	0	110.2
621	Y	32.2	Very low	34.8	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	79%	0.79	S	S	*	*	S	Bend	trans	74.3	55.2	-171.4	-64	-80.9	0	0	0	117.4
622	R	37.2	Very low	35.1	Very low	210 Å²	210	146.8 Å²	146.8	79%	0.792	79%	0.785	S	S	*	*			trans	-141.4	58.4	158.9	-126	-178.5	-166.1	-117.4	2.5	116
623	L	36.7	Very low	35.7	Very low	188 Å²	188	146.3 Å²	146.3	98%	0.984	79%	0.794	S	S	*	*			trans	-131.3	78.7	151	-78.9	-177.6	0	0	0	108.8
624	G	30.3	Very low	36	Very low	71 Å²	71	144.6 Å²	144.6	73%	0.732	79%	0.792	S	S	*	*			trans	-151.5	69.3	-175.7	0	0	0	0	0	110.9
625	L	37.9	Very low	36.4	Very low	163 Å²	163	139.6 Å²	139.6	85%	0.853	78%	0.781	S	S	*	*			trans	-138.3	113.4	168.3	-79.9	164	0	0	0	103.5
626	H	36.4	Very low	37.4	Very low	158 Å²	158	142.1 Å²	142.1	73%	0.731	80%	0.795	S	S	*	*			cis	71.5	114.9	36.3	-137.9	-96	0	0	0	113
627	Q	32.7	Very low	37.8	Very low	162 Å²	162	142.8 Å²	142.8	76%	0.757	80%	0.797	S	S	*	*			trans	57	95.2	175	-69.7	174.8	-12.1	0	0	118.3
628	V	36.4	Very low	37.8	Very low	150 Å²	150	143.8 Å²	143.8	91%	0.909	80%	0.799	S	S	*	*				-124	142.4	126.8	-178.9	0	0	0	0	107
629	L	34.2	Very low	38	Very low	154 Å²	154	150.2 Å²	150.2	81%	0.806	81%	0.814	S	S	*	*			trans	-89.7	160.5	-172.4	-70.9	160	0	0	0	112.5
630	S	31.9	Very low	38.2	Very low	110 Å²	110	152 Å²	152	77%	0.769	82%	0.819	S	S	*	*			trans	57.6	106.1	157.4	-164.1	0	0	0	0	118.4
631	L	34	Very low	38.4	Very low	171 Å²	171	148.7 Å²	148.7	90%	0.895	82%	0.816	S	S	*	*				-176.7	118.2	120.4	-97.7	157.4	0	0	0	109.1
632	S	36.2	Very low	39.2	Very low	112 Å²	112	143 Å²	143	78%	0.783	81%	0.808	S	S	*	*			trans	-116.2	122.5	-177	-171.1	0	0	0	0	110.9	A634	S632-A634 PolarHBondContact O-N 3.36Å
633	P	49.6	Very low	39.4	Very low	126 Å²	126	139.5 Å²	139.5	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.8	117.6	168	-12.3	28.9	0	0	0	110.2
634	A	42	Very low	39.6	Very low	86 Å²	86	139.4 Å²	139.4	71%	0.711	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.9	154.9	175.6	0	0	0	0	0	112.2	S632	S632-A634 PolarHBondContact O-N 3.36Å
635	P	42.7	Very low	40.2	Very low	107 Å²	107	141 Å²	141	70%	0.695	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71	148.6	174.6	30.9	-35.5	0	0	0	111.6	T637	P635-T637 PolarHBondContact O-N 3.27Å; P635-T637 VanDerWaalsContact O-N 3.16Å
636	P	54.7	Low	40.2	Very low	136 Å²	136	140.9 Å²	140.9	88%	0.883	79%	0.793	S	S	*	*			trans	-74.1	105.7	177.5	29.6	-33.4	0	0	0	111.2
637	T	42.1	Very low	40.2	Very low	128 Å²	128	136.9 Å²	136.9	79%	0.785	78%	0.782	S	S	*	*			trans	-76.3	167.7	167.1	49.4	0	0	0	0	111.8	P635	P635-T637 PolarHBondContact O-N 3.27Å; P635-T637 VanDerWaalsContact O-N 3.16Å
638	S	33.7	Very low	40.7	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	79%	0.785	S	S	*	*			trans	-63.5	153.1	-175	45.5	0	0	0	0	114.7
639	R	40.8	Very low	40.9	Very low	249 Å²	249	135.3 Å²	135.3	94%	0.94	78%	0.776	S	S	*	*			trans	-140.2	158.4	156.6	-98.4	-175.1	170.6	168.6	-1.9	110.7
640	E	43.4	Very low	41.4	Very low	187 Å²	187	134 Å²	134	87%	0.874	78%	0.777	S	S	*	*			trans	-93.1	165	-153.3	-64.2	168	113.4	0	0	115.5
641	P	41.7	Very low	42.5	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	78%	0.779	S	S	*	*			trans	-105.6	164	178.7	40.4	-34.6	0	0	0	114.7
642	P	47.8	Very low	42.8	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	78%	0.776	S	S	*	*			trans	-89.4	137.9	148.9	34.8	-28.5	0	0	0	110.1
643	L	41.9	Very low	43.4	Very low	136 Å²	136	132.6 Å²	132.6	71%	0.712	77%	0.77	S	S	*	*				58.3	127.6	68.2	-56	-178.5	0	0	0	112.2
644	F	41.2	Very low	42.9	Very low	185 Å²	185	132.6 Å²	132.6	81%	0.811	77%	0.768	S	S	*	*			cis	-151.6	-170.4	11.9	-114.1	-39.9	0	0	0	110.5
645	P	42.6	Very low	42.8	Very low	104 Å²	104	132.8 Å²	132.8	68%	0.675	76%	0.764	S	S	*	*			trans	-121.3	-151.6	-144.2	45.3	-28.7	0	0	0	115.6
646	L	38.3	Very low	42.9	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	77%	0.77	S	S	*	*			trans	96.4	143.2	178.3	-56.8	170	0	0	0	114.8
647	S	37	Very low	42.4	Very low	74 Å²	74	134.1 Å²	134.1	52%	0.517	76%	0.763	S	S	.	*			cis	-176.6	151.2	-19.2	49.6	0	0	0	0	110.8
648	H	42	Very low	42.7	Very low	177 Å²	177	133.2 Å²	133.2	82%	0.819	76%	0.759	S	S	*	*			trans	68.2	159.9	167.7	-44.5	-63.5	0	0	0	117.3
649	S	41.6	Very low	43	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	76%	0.758	S	S	*	*			cis	-171.9	141	-38.5	54.4	0	0	0	0	109.6
650	P	44.2	Very low	42.9	Very low	127 Å²	127	126 Å²	126	83%	0.825	75%	0.746	S	S	*	*			trans	-99	158	-175.8	37.7	-35.2	0	0	0	115.1
651	P	55.1	Low	42.6	Very low	124 Å²	124	121.4 Å²	121.4	81%	0.805	74%	0.735	S	S	*	*			trans	-122	142.5	162.4	37.2	-25.8	0	0	0	114.8
652	T	40.8	Very low	42.3	Very low	137 Å²	137	124.1 Å²	124.1	84%	0.84	74%	0.743	S	S	*	*			trans	-99	-164.6	160.5	52	0	0	0	0	108.2
653	P	47.5	Very low	41.8	Very low	102 Å²	102	124.1 Å²	124.1	66%	0.662	75%	0.745	S	S	*	*			cis	-142.2	-151.8	3.3	43.8	-21.8	0	0	0	115.1
654	T	40	Very low	41.3	Very low	125 Å²	125	124.6 Å²	124.6	77%	0.767	75%	0.748	S	S	*	*			trans	73.5	143.7	161.8	35.1	0	0	0	0	118.9
655	S	39.3	Very low	41.2	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	75%	0.751	S	S	*	*			cis	-162.6	138.9	0.6	47.7	0	0	0	0	115.9
656	I	44.4	Very low	40.8	Very low	159 Å²	159	126.2 Å²	126.2	82%	0.815	76%	0.758	S	S	*	*			trans	76.4	123.2	139.5	-64.4	166.3	0	0	0	121.3
657	P	44.7	Very low	40.7	Very low	112 Å²	112	123 Å²	123	73%	0.727	75%	0.754	S	S	*	*			trans	-105.4	-151.5	165.4	44.6	-35.8	0	0	0	111
658	P	49.6	Very low	40.5	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	77%	0.768	S	S	*	*			cis	-141.1	-164.6	-6.3	43.1	-22.6	0	0	0	116.8
659	S	38.6	Very low	40	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	76%	0.761	S	S	*	*			trans	81.9	159.9	152.2	84.4	0	0	0	0	119.1
660	S	39.4	Very low	39.7	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	76%	0.759	S	S	*	*			cis	-154.3	154.6	4.3	63.8	0	0	0	0	115.2
661	S	37.6	Very low	39.2	Very low	90 Å²	90	127.5 Å²	127.5	63%	0.629	75%	0.754	S	S	*	*			trans	52.7	125.8	139.6	66	0	0	0	0	124.8
662	L	34.8	Very low	37.9	Very low	170 Å²	170	127.2 Å²	127.2	89%	0.89	76%	0.755	S	S	*	*			trans	59.9	148.9	131.1	-57	172	0	0	0	119.4
663	S	38	Very low	37.4	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	75%	0.753	S	S	*	*			cis	-153.7	177.3	16.9	56.8	0	0	0	0	113
664	N	31.3	Very low	36.7	Very low	146 Å²	146	130.2 Å²	130.2	78%	0.781	76%	0.758	S	S	*	*			trans	-58	156.7	-176.8	-51.2	-23.2	0	0	0	116.1
665	I	37.9	Very low	36.3	Very low	170 Å²	170	130 Å²	130	87%	0.872	76%	0.756	S	S	*	*				-165.8	151	125.4	-97.4	153.2	0	0	0	109.6
666	N	34.3	Very low	36	Very low	153 Å²	153	133.8 Å²	133.8	82%	0.818	76%	0.764	S	S	*	*			trans	-78.1	144.2	-171.8	-51.7	-29.5	0	0	0	113.4
667	A	35.8	Very low	35.3	Very low	93 Å²	93	132.4 Å²	132.4	77%	0.769	77%	0.765	S	S	*	*				178.1	154.1	114.3	0	0	0	0	0	113.2
668	E	33.3	Very low	34.7	Very low	173 Å²	173	133 Å²	133	81%	0.808	77%	0.767	S	S	*	*			trans	-34.1	145.3	169.3	-52	161.4	124.2	0	0	114.4
669	N	31.1	Very low	33.8	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	77%	0.772	S	S	*	*			cis	-171.3	157.5	48.8	-124.9	-37.2	0	0	0	114.3
670	Q	35.6	Very low	33.5	Very low	145 Å²	145	136 Å²	136	68%	0.678	77%	0.771	S	S	*	*			trans	58	123.8	149.1	-62.4	-67.4	-60.4	0	0	122.2
671	N	33.5	Very low	33	Very low	133 Å²	133	136.1 Å²	136.1	71%	0.711	77%	0.772	S	S	*	*			trans	74.5	79.6	138.5	-56.4	-21	0	0	0	119.9
672	S	27.8	Very low	32.9	Very low	118 Å²	118	142.8 Å²	142.8	83%	0.825	78%	0.784	S	S	*	*			trans	-53.9	130.8	148.7	53.2	0	0	0	0	112.9
673	L	31.9	Very low	32.8	Very low	155 Å²	155	139.6 Å²	139.6	81%	0.812	78%	0.776	S	S	*	*			trans	-149.5	88.7	160	-117.2	163.7	0	0	0	111.3
674	I	31.6	Very low	32.6	Very low	146 Å²	146	138.8 Å²	138.8	75%	0.749	77%	0.77	S	S	*	*			trans	29.4	97.8	141.9	-53	168.9	0	0	0	114.4
675	T	31.8	Very low	32.3	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	78%	0.775	S	S	*	*				60.6	84.6	66.4	-48.4	0	0	0	0	114.5
676	Q	34	Very low	32	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.804	77%	0.77	S	S	*	*			trans	45.4	128.3	143.7	-53.9	-166.2	21.2	0	0	121.4
677	P	28.4	Very low	31.7	Very low	130 Å²	130	136.6 Å²	136.6	84%	0.844	77%	0.767	S	S	*	*			trans	-90.6	125.8	171.6	34.8	-31.3	0	0	0	113.4
678	V	33.6	Very low	31.5	Very low	125 Å²	125	139.8 Å²	139.8	76%	0.758	77%	0.768	S	S	*	*			trans	-138.8	97.6	166.4	-180	0	0	0	0	106.8
679	L	30.5	Very low	31.2	Very low	156 Å²	156	139.5 Å²	139.5	82%	0.817	77%	0.772	S	S	*	*				83	148.9	85.9	-108.1	174.4	0	0	0	114.1
680	V	31	Very low	31.1	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	77%	0.769	S	S	*	*			trans	72.7	126.7	174.6	-178.8	0	0	0	0	114.8
681	S	30.1	Very low	30.7	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	78%	0.781	S	S	*	*			cis	-167.8	179.9	-10.7	-109	0	0	0	0	112.3
682	R	34	Very low	30.4	Very low	230 Å²	230	136.4 Å²	136.4	87%	0.868	78%	0.776	S	S	*	*			trans	91	87.2	160.2	-66	-163.7	168.4	163.5	-1.5	119.4
683	S	33.4	Very low	30.3	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	77%	0.773	S	S	*	*				57.1	137.5	111.5	62.3	0	0	0	0	120.7
684	S	32.8	Very low	30.2	Very low	93 Å²	93	138 Å²	138	65%	0.65	78%	0.775	S	S	*	*			cis	-167.3	138.4	-5	42.3	0	0	0	0	111.2
685	C	25.4	Very low	29.9	Very low	132 Å²	132	135.6 Å²	135.6	89%	0.892	77%	0.769	S	S	*	*			trans	-72.4	127.9	167.4	-45.5	0	0	0	0	109.8
686	I	32.5	Very low	29.7	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	77%	0.771	S	S	*	*			trans	-134.6	113.9	167.1	-64.3	-177.2	0	0	0	108
687	N	27.6	Very low	29.6	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	77%	0.772	S	S	*	*			trans	-69.3	158.8	165.1	-55.5	-35.1	0	0	0	109.2
688	M	32	Very low	29.6	Very low	160 Å²	160	136.7 Å²	136.7	79%	0.788	77%	0.768	S	S	*	*				-168.5	115.6	127.7	-102.8	-48.6	168.4	0	0	111.5	T690	M688-T690 PolarHBondContact O-N 3.12Å; M688-T690 PolarHBondContact SD-OG1 3.33Å
689	D	26	Very low	29.6	Very low	167 Å²	167	136.2 Å²	136.2	89%	0.893	77%	0.77	S	S	*	*			trans	-70.5	103.4	148.4	-67.5	-71.5	0	0	0	107.6
690	T	30.2	Very low	29.8	Very low	98 Å²	98	136.1 Å²	136.1	60%	0.601	77%	0.765	S	S	*	*			trans	-145.9	104.1	169.2	-50.8	0	0	0	0	111.1	M688 S692	M688-T690 PolarHBondContact O-N 3.12Å; M688-T690 PolarHBondContact SD-OG1 3.33Å; T690-S692 PolarHBondContact O-N 2.63Å
691	V	25.8	Very low	30	Very low	152 Å²	152	137.6 Å²	137.6	92%	0.921	77%	0.769	S	S	*	*			trans	-72.5	116.3	158.2	175.4	0	0	0	0	107.4
692	S	29	Very low	30.3	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	77%	0.769	S	S	*	*			trans	-147.7	125	160	-160.4	0	0	0	0	109.9	T690	T690-S692 PolarHBondContact O-N 2.63Å
693	A	25.2	Very low	30.7	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	76%	0.757	S	S	*	*			trans	-109.9	135.9	168	0	0	0	0	0	107
694	Y	28.5	Very low	30.8	Very low	215 Å²	215	133.2 Å²	133.2	84%	0.843	76%	0.76	S	S	*	*			trans	-138	129.9	172.4	-105.7	-86	0	0	0	110.6
695	C	25.9	Very low	31	Very low	94 Å²	94	134.5 Å²	134.5	64%	0.635	76%	0.763	S	S	*	*			trans	-72.3	-175.9	154.7	-48.3	0	0	0	0	108.5
696	E	27.7	Very low	31.4	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	75%	0.754	S	S	*	*			cis	-164.1	152.6	12.9	-144.5	131.8	-119.4	0	0	108.6
697	S	32	Very low	31.5	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	76%	0.756	S	S	*	*			trans	163.4	100.1	155	38.9	0	0	0	0	108.5
698	E	29.2	Very low	32	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	76%	0.755	S	S	*	*				69.4	84.8	70	-66.3	-144.7	106.4	0	0	115.6
699	S	33.2	Very low	32.1	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	76%	0.756	S	S	*	*				-153.5	114.7	124.8	47.8	0	0	0	0	108.2
700	Q	34.6	Very low	32.6	Very low	153 Å²	153	133.9 Å²	133.9	72%	0.715	76%	0.755	S	S	*	*				70.3	58.1	69.4	-64.6	-77.9	-1.4	0	0	113.8
701	N	34.3	Very low	33.1	Very low	158 Å²	158	139.3 Å²	139.3	85%	0.845	77%	0.77	S	S	*	*				-162.8	165.9	114.9	-107.3	-62.8	0	0	0	113.8
702	S	36.4	Very low	33.6	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	77%	0.768	S	S	*	*			trans	-141.7	-172.8	-163.4	73.8	0	0	0	0	110.7
703	P	42.2	Very low	34	Very low	95 Å²	95	144 Å²	144	62%	0.617	77%	0.774	S	S	*	*			cis	-135.3	-166.2	-3.1	33.7	-11	0	0	0	114.7
704	N	35.7	Very low	34.7	Very low	147 Å²	147	148 Å²	148	79%	0.786	77%	0.774	S	S	*	*			trans	80.3	125.8	163.3	-56.9	-30.8	0	0	0	117.8
705	V	37.2	Very low	35	Very low	120 Å²	120	148.4 Å²	148.4	73%	0.727	78%	0.776	S	S	*	*			cis	-145.3	133.4	-3.3	133.6	0	0	0	0	111.6
706	L	34.6	Very low	35.6	Very low	134 Å²	134	152.9 Å²	152.9	70%	0.702	81%	0.808	S	S	*	*			trans	30.9	110.7	157.5	-64.7	168.3	0	0	0	122.4
707	P	33.5	Very low	36	Very low	123 Å²	123	152.3 Å²	152.3	80%	0.799	81%	0.81	S	S	*	*			trans	-95.4	156.4	142.9	36.4	-30.9	0	0	0	111.9
708	K	39.9	Very low	36.2	Very low	169 Å²	169	154.1 Å²	154.1	74%	0.735	81%	0.809	S	S	*	*			trans	-140.9	113	172.5	-80.6	-165.3	175.6	-179.3	0	115.4
709	Y	33.1	Very low	36.6	Very low	208 Å²	208	153.6 Å²	153.6	82%	0.816	81%	0.811	S	S	*	*			trans	47.9	97.7	146.4	-62.7	-80.1	0	0	0	120.7
710	A	37.2	Very low	36.8	Very low	104 Å²	104	155.8 Å²	155.8	86%	0.86	81%	0.812	S	S	*	*			trans	-74.9	132.7	142.4	0	0	0	0	0	109.9
711	K	40.5	Very low	36.9	Very low	211 Å²	211	156 Å²	156	92%	0.917	82%	0.818	S	S	*	*			trans	-95.7	122.7	164.7	-79.5	-175.2	176.3	179.8	0	109.2
712	R	36.4	Very low	37.1	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	82%	0.816	S	S	*	*			trans	-120.1	97.7	169.6	-171.2	178.7	-172	-179.7	3.8	108.9
713	S	37.9	Very low	37.2	Very low	107 Å²	107	159.8 Å²	159.8	75%	0.748	82%	0.824	S	S	*	*			trans	-73.5	135.1	170.8	-166.6	0	0	0	0	109.8
714	K	38.2	Very low	36.8	Very low	175 Å²	175	164.8 Å²	164.8	76%	0.761	84%	0.84	S	S	*	*			trans	-111.1	139.6	157.9	-75.3	-174.5	175.1	-172.7	0	106.7
715	Y	36.5	Very low	36.9	Very low	224 Å²	224	166.3 Å²	166.3	88%	0.878	84%	0.844	S	S	*	*			trans	-145.3	138	152.6	-100.9	-78.8	0	0	0	109.5
716	S	37.5	Very low	36.8	Very low	187 Å²	187	170.5 Å²	170.5	100%	1.308	86%	0.855	S	S	*	*			trans	51.2	0	-173.9	-172.4	0	0	0	0	114.1

Retrieved 716 of 716 residues in 586.3 ms (Link to these results)

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